H2 |
Hydrogen diatomic |
1 |
Σg |
4411 |
4161 |
0.943 |
1 |
1 |
LiH |
Lithium Hydride |
1 |
Σ |
1337 |
1360 |
1.017 |
2 |
2 |
Li2 |
Lithium diatomic |
1 |
Σg |
294 |
346 |
1.178 |
3 |
3 |
NaH |
sodium hydride |
1 |
Σ |
1134 |
1133 |
0.999 |
4 |
4 |
Na2 |
Sodium diatomic |
1 |
Σg |
143 |
158 |
1.100 |
5 |
5 |
BeH |
beryllium monohydride |
1 |
Σ |
1949 |
1987 |
1.019 |
6 |
6 |
MgH |
magnesium monohydride |
1 |
Σ |
1324 |
1432 |
1.082 |
7 |
7 |
BH |
Boron monohydride |
1 |
Σ |
2249 |
2269 |
1.009 |
8 |
8 |
AlH |
aluminum monohydride |
1 |
Σ |
1603 |
1625 |
1.014 |
9 |
9 |
CH |
Methylidyne |
1 |
Σ |
2736 |
2733 |
0.999 |
10 |
10 |
|
|
1 |
Σ |
3010 |
|
|
10 |
11 |
C2 |
Carbon diatomic |
1 |
Σg |
1081 |
1827 |
1.691 |
11 |
12 |
SiH |
Silylidyne |
1 |
Σ |
1950 |
1971 |
1.011 |
12 |
13 |
Si2 |
Silicon diatomic |
1 |
Σg |
525 |
507 |
0.966 |
13 |
14 |
NH |
Imidogen |
1 |
Σ |
3170 |
3126 |
0.986 |
14 |
15 |
|
|
1 |
Σ |
3212 |
3206 |
0.998 |
14 |
16 |
CN |
Cyano radical |
1 |
Σ |
2095 |
2042 |
0.975 |
15 |
17 |
N2 |
Nitrogen diatomic |
1 |
Σg |
2375 |
2330 |
0.981 |
16 |
18 |
|
|
1 |
Σg |
1801 |
1733 |
0.963 |
16 |
19 |
SiN |
Silicon nitride |
1 |
Σ |
1122 |
1138 |
1.015 |
17 |
20 |
PH |
phosphorus monohydride |
1 |
Σ |
2302 |
2276 |
0.989 |
18 |
21 |
|
|
1 |
Σ |
2311 |
2319 |
1.004 |
18 |
22 |
|
|
1 |
Σ |
2308 |
2319 |
1.005 |
18 |
23 |
CP |
Carbon monophosphide |
1 |
Σ |
1220 |
1226 |
1.005 |
19 |
24 |
PN |
Phosphorus mononitride |
1 |
Σ |
1319 |
1323 |
1.003 |
20 |
25 |
P2 |
Phosphorus diatomic |
1 |
Σg |
766 |
775 |
1.012 |
21 |
26 |
OH |
Hydroxyl radical |
1 |
Σ |
3620 |
3570 |
0.986 |
22 |
27 |
LiO |
lithium oxide |
1 |
Σ |
746 |
799 |
1.071 |
23 |
28 |
BeO |
beryllium oxide |
1 |
Σ |
1446 |
1435 |
0.992 |
24 |
29 |
BO |
boron monoxide |
1 |
Σ |
1819 |
1862 |
1.023 |
25 |
30 |
CO |
Carbon monoxide |
1 |
Σ |
2121 |
2143 |
1.011 |
26 |
31 |
|
|
1 |
Σ |
1718 |
|
|
26 |
32 |
NaO |
sodium monoxide |
1 |
Σ |
481 |
|
|
27 |
33 |
MgO |
magnesium oxide |
1 |
Σ |
774 |
775 |
1.001 |
28 |
34 |
SiO |
Silicon monoxide |
1 |
Σ |
1179 |
1230 |
1.043 |
29 |
35 |
HS |
Mercapto radical |
1 |
Σ |
2633 |
2599 |
0.987 |
30 |
36 |
BeS |
beryllium sulfide |
1 |
Σ |
966 |
986 |
1.020 |
31 |
37 |
BS |
boron sulfide |
1 |
Σ |
1135 |
1167 |
1.028 |
32 |
38 |
CS |
carbon monosulfide |
1 |
Σ |
1254 |
1272 |
1.014 |
33 |
39 |
SO |
Sulfur monoxide |
1 |
Σ |
1065 |
1138 |
1.068 |
34 |
40 |
|
|
1 |
Σ |
1066 |
1054 |
0.989 |
34 |
41 |
MgS |
magnesium sulfide |
1 |
Σ |
513 |
523 |
1.021 |
35 |
42 |
AlS |
Aluminum sulfide |
1 |
Σ |
577 |
610 |
1.057 |
36 |
43 |
SiS |
silicon monosulfide |
1 |
Σ |
705 |
744 |
1.055 |
37 |
44 |
S2 |
Sulfur diatomic |
1 |
Σg |
672 |
720 |
1.072 |
38 |
45 |
HF |
Hydrogen fluoride |
1 |
Σ |
4009 |
3961 |
0.988 |
39 |
46 |
LiF |
lithium fluoride |
1 |
Σ |
838 |
896 |
1.069 |
40 |
47 |
BeF |
Beryllium monofluoride |
1 |
Σ |
1170 |
|
|
41 |
48 |
CF |
Fluoromethylidyne |
1 |
Σ |
1222 |
1286 |
1.053 |
42 |
49 |
NF |
nitrogen fluoride |
1 |
Σ |
1102 |
1123 |
1.019 |
43 |
50 |
F2 |
Fluorine diatomic |
1 |
Σg |
981 |
894 |
0.912 |
44 |
51 |
NaF |
sodium fluoride |
1 |
Σ |
490 |
529 |
1.080 |
45 |
52 |
MgF |
Magnesium monofluoride |
1 |
Σ |
629 |
|
|
46 |
53 |
AlF |
Aluminum monofluoride |
1 |
Σ |
731 |
793 |
1.084 |
47 |
54 |
SiF |
silicon monofluoride |
1 |
Σ |
773 |
848 |
1.096 |
48 |
55 |
PF |
phosphorus monofluoride |
1 |
Σ |
769 |
838 |
1.089 |
49 |
56 |
SF |
Monosulfur monofluoride |
1 |
Σ |
776 |
829 |
1.068 |
50 |
57 |
HCl |
Hydrogen chloride |
1 |
Σ |
2918 |
2886 |
0.989 |
51 |
58 |
LiCl |
lithium chloride |
1 |
Σ |
595 |
634 |
1.066 |
52 |
59 |
BeCl |
beryllium monochloride |
1 |
Σ |
787 |
847 |
1.075 |
53 |
60 |
BCl |
boron monochloride |
1 |
Σ |
778 |
829 |
1.066 |
54 |
61 |
CCl |
carbon monochloride |
1 |
Σ |
819 |
866 |
1.057 |
55 |
62 |
ClF |
Chlorine monofluoride |
1 |
Σ |
734 |
773 |
1.054 |
56 |
63 |
NaCl |
Sodium Chloride |
1 |
Σ |
329 |
361 |
1.096 |
57 |
64 |
MgCl |
magnesium monochloride |
1 |
Σ |
399 |
|
|
58 |
65 |
AlCl |
Aluminum monochloride |
1 |
Σ |
437 |
478 |
1.092 |
59 |
66 |
SiCl |
Clorosilylidyne |
1 |
Σ |
487 |
531 |
1.090 |
60 |
67 |
PCl |
phosphorus chloride |
1 |
Σ |
504 |
547 |
1.085 |
61 |
68 |
SCl |
sulfur monochloride |
1 |
Σ |
519 |
577 |
1.112 |
62 |
69 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
482 |
554 |
1.151 |
63 |
70 |
BeH2 |
beryllium dihydride |
2 |
Σu |
2195 |
2159 |
0.984 |
64 |
71 |
|
|
3 |
Πu |
713 |
698 |
0.979 |
64 |
72 |
MgH2 |
magnesium dihydride |
2 |
Σu |
1564 |
1572 |
1.005 |
65 |
73 |
|
|
3 |
Πu |
436 |
440 |
1.009 |
65 |
74 |
BH2 |
boron dihydride |
2 |
A1 |
964 |
954 |
0.989 |
66 |
75 |
AlH2 |
aluminum dihydride |
1 |
A1 |
1729 |
1770 |
1.024 |
67 |
76 |
|
|
2 |
A1 |
750 |
760 |
1.014 |
67 |
77 |
|
|
3 |
B2 |
1772 |
1807 |
1.019 |
67 |
78 |
SiH2 |
silicon dihydride |
1 |
A1 |
1978 |
1996 |
1.009 |
68 |
79 |
|
|
2 |
A1 |
1001 |
999 |
0.998 |
68 |
80 |
|
|
3 |
B2 |
1981 |
1993 |
1.006 |
68 |
81 |
NH2 |
Amino radical |
1 |
A1 |
3269 |
3219 |
0.985 |
69 |
82 |
|
|
2 |
A1 |
1504 |
1497 |
0.995 |
69 |
83 |
|
|
3 |
B2 |
3377 |
3301 |
0.978 |
69 |
84 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3408 |
3312 |
0.972 |
70 |
85 |
|
|
2 |
Σ |
2131 |
2089 |
0.980 |
70 |
86 |
|
|
3 |
Π |
721 |
712 |
0.988 |
70 |
87 |
HNC |
hydrogen isocyanide |
1 |
Σ |
3753 |
3653 |
0.973 |
71 |
88 |
|
|
2 |
Σ |
2031 |
2029 |
0.999 |
71 |
89 |
|
|
3 |
Π |
449 |
477 |
1.061 |
71 |
90 |
PH2 |
Phosphino radical |
1 |
A1 |
2323 |
2310 |
0.994 |
72 |
91 |
|
|
2 |
A1 |
1107 |
1102 |
0.996 |
72 |
92 |
HCP |
Phosphaethyne |
1 |
Σ |
3307 |
3217 |
0.973 |
73 |
93 |
|
|
2 |
Σ |
1276 |
1278 |
1.002 |
73 |
94 |
|
|
3 |
Π |
686 |
674 |
0.982 |
73 |
95 |
HPO |
Hydrogen phosphorus oxide |
1 |
A' |
2029 |
2095 |
1.033 |
74 |
96 |
|
|
2 |
A' |
1140 |
1188 |
1.043 |
74 |
97 |
|
|
3 |
A' |
967 |
986 |
1.019 |
74 |
98 |
H2O |
Water |
1 |
A1 |
3735 |
3657 |
0.979 |
75 |
99 |
|
|
2 |
A1 |
1592 |
1595 |
1.002 |
75 |
100 |
|
|
3 |
B2 |
3865 |
3756 |
0.972 |
75 |
101 |
LiOH |
lithium hydroxide |
1 |
Σ |
3947 |
3688 |
0.934 |
76 |
102 |
|
|
2 |
Σ |
890 |
871 |
0.978 |
76 |
103 |
|
|
3 |
Π |
296 |
257 |
0.866 |
76 |
104 |
BeOH |
beryllium monohydroxide |
2 |
A' |
1208 |
1246 |
1.031 |
77 |
105 |
HBO |
Boron hydride oxide |
1 |
Σ |
2844 |
2850 |
1.002 |
78 |
106 |
|
|
2 |
Σ |
1796 |
1826 |
1.016 |
78 |
107 |
|
|
3 |
Π |
741 |
756 |
1.020 |
78 |
108 |
HCO |
Formyl radical |
1 |
A' |
2643 |
2434 |
0.921 |
79 |
109 |
|
|
2 |
A' |
1864 |
1868 |
1.002 |
79 |
110 |
|
|
3 |
A' |
1094 |
1081 |
0.988 |
79 |
111 |
HO2 |
Hydroperoxy radical |
1 |
A' |
3470 |
3436 |
0.990 |
80 |
112 |
|
|
2 |
A' |
1392 |
1392 |
1.000 |
80 |
113 |
|
|
3 |
A' |
1104 |
1098 |
0.994 |
80 |
114 |
CO2 |
Carbon dioxide |
1 |
Σg |
1317 |
1333 |
1.012 |
81 |
115 |
|
|
2 |
Σu |
2363 |
2349 |
0.994 |
81 |
116 |
|
|
3 |
Πu |
628 |
667 |
1.063 |
81 |
117 |
N2O |
Nitrous oxide |
1 |
Σ |
2303 |
2224 |
0.966 |
82 |
118 |
|
|
2 |
Σ |
1308 |
1285 |
0.983 |
82 |
119 |
|
|
3 |
Π |
574 |
589 |
1.026 |
82 |
120 |
NaOH |
sodium hydroxide |
1 |
Σ |
3895 |
3637 |
0.934 |
83 |
121 |
|
|
2 |
Σ |
531 |
540 |
1.017 |
83 |
122 |
|
|
3 |
Π |
188 |
300 |
1.593 |
83 |
123 |
SiO2 |
silicon dioxide |
2 |
Σu |
1381 |
1416 |
1.026 |
84 |
124 |
|
|
3 |
Πu |
236 |
273 |
1.155 |
84 |
125 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2652 |
2615 |
0.986 |
85 |
126 |
|
|
2 |
A1 |
1200 |
1183 |
0.986 |
85 |
127 |
|
|
3 |
B2 |
2676 |
2626 |
0.981 |
85 |
128 |
HBS |
hydrogen boron sulfide |
1 |
Σ |
2793 |
2736 |
0.979 |
86 |
129 |
|
|
2 |
Σ |
1157 |
1172 |
1.013 |
86 |
130 |
OCS |
Carbonyl sulfide |
1 |
Σ |
2058 |
2062 |
1.002 |
87 |
131 |
|
|
2 |
Σ |
860 |
859 |
0.999 |
87 |
132 |
|
|
3 |
Π |
486 |
520 |
1.071 |
87 |
133 |
SO2 |
Sulfur dioxide |
1 |
A1 |
1067 |
1151 |
1.079 |
88 |
134 |
|
|
2 |
A1 |
476 |
518 |
1.088 |
88 |
135 |
|
|
3 |
B2 |
1244 |
1362 |
1.095 |
88 |
136 |
CS2 |
Carbon disulfide |
1 |
Σg |
658 |
658 |
1.000 |
89 |
137 |
|
|
2 |
Σu |
1535 |
1535 |
1.000 |
89 |
138 |
|
|
3 |
Πu |
388 |
397 |
1.022 |
89 |
139 |
SSO |
Disulfur monoxide |
1 |
A' |
1083 |
1166 |
1.077 |
90 |
140 |
|
|
2 |
A' |
633 |
679 |
1.073 |
90 |
141 |
|
|
3 |
A' |
358 |
380 |
1.063 |
90 |
142 |
HCF |
Fluoromethylene |
1 |
A' |
2672 |
2643 |
0.989 |
91 |
143 |
|
|
2 |
A' |
1410 |
1403 |
0.995 |
91 |
144 |
|
|
3 |
A' |
1128 |
1189 |
1.054 |
91 |
145 |
HOF |
Hypofluorous acid |
1 |
A' |
3638 |
3578 |
0.983 |
92 |
146 |
|
|
2 |
A' |
1359 |
1362 |
1.002 |
92 |
147 |
|
|
3 |
A' |
920 |
893 |
0.971 |
92 |
148 |
CF2 |
Difluoromethylene |
1 |
A1 |
1151 |
1225 |
1.065 |
93 |
149 |
|
|
2 |
A1 |
622 |
667 |
1.072 |
93 |
150 |
|
|
3 |
B2 |
1028 |
1114 |
1.084 |
93 |
151 |
FNO |
Nitrosyl fluoride |
1 |
A' |
1908 |
1844 |
0.966 |
94 |
152 |
|
|
2 |
A' |
751 |
766 |
1.019 |
94 |
153 |
|
|
3 |
A' |
484 |
520 |
1.075 |
94 |
154 |
NF2 |
Difluoroamino radical |
1 |
A1 |
1036 |
1075 |
1.038 |
95 |
155 |
|
|
2 |
A1 |
530 |
573 |
1.082 |
95 |
156 |
|
|
3 |
B2 |
858 |
942 |
1.099 |
95 |
157 |
F2O |
Difluorine monoxide |
1 |
A1 |
952 |
928 |
0.975 |
96 |
158 |
|
|
2 |
A1 |
442 |
461 |
1.042 |
96 |
159 |
|
|
3 |
B2 |
781 |
831 |
1.064 |
96 |
160 |
HOCl |
hypochlorous acid |
1 |
A' |
3678 |
3609 |
0.981 |
97 |
161 |
|
|
2 |
A' |
1223 |
1239 |
1.013 |
97 |
162 |
|
|
3 |
A' |
681 |
724 |
1.064 |
97 |
163 |
ClCN |
chlorocyanogen |
1 |
Σ |
2230 |
2216 |
0.994 |
98 |
164 |
|
|
2 |
Σ |
724 |
744 |
1.028 |
98 |
165 |
|
|
3 |
Π |
371 |
378 |
1.020 |
98 |
166 |
ClNO |
Nitrosyl chloride |
1 |
A' |
1877 |
1800 |
0.959 |
99 |
167 |
|
|
2 |
A' |
581 |
596 |
1.026 |
99 |
168 |
|
|
3 |
A' |
312 |
332 |
1.062 |
99 |
169 |
OClO |
Chlorine dioxide |
1 |
A1 |
851 |
946 |
1.112 |
100 |
170 |
|
|
2 |
A1 |
392 |
448 |
1.142 |
100 |
171 |
|
|
3 |
B2 |
966 |
1110 |
1.149 |
100 |
172 |
CCl2 |
dichloromethylene |
1 |
A1 |
680 |
730 |
1.073 |
101 |
173 |
|
|
2 |
A1 |
311 |
335 |
1.076 |
101 |
174 |
|
|
3 |
B2 |
650 |
758 |
1.166 |
101 |
175 |
Cl2O |
Dichlorine monoxide |
1 |
A1 |
611 |
639 |
1.046 |
102 |
176 |
|
|
2 |
A1 |
275 |
296 |
1.076 |
102 |
177 |
|
|
3 |
B2 |
527 |
686 |
1.301 |
102 |
178 |
SiCl2 |
Dichlorosilylene |
1 |
A1 |
478 |
522 |
1.091 |
103 |
179 |
|
|
2 |
A1 |
185 |
201 |
1.086 |
103 |
180 |
|
|
3 |
B2 |
470 |
509 |
1.084 |
103 |
181 |
ClS2 |
Sulfur chloride |
1 |
A' |
640 |
662 |
1.034 |
104 |
182 |
|
|
2 |
A' |
353 |
450 |
1.274 |
104 |
183 |
|
|
3 |
A' |
191 |
196 |
1.028 |
104 |
184 |
BH3 |
boron trihydride |
2 |
A2" |
1132 |
1148 |
1.014 |
105 |
185 |
|
|
3 |
E' |
2645 |
2602 |
0.983 |
105 |
186 |
|
|
4 |
E' |
1175 |
1197 |
1.018 |
105 |
187 |
AlH3 |
aluminum trihydride |
1 |
A1' |
1891 |
1900 |
1.005 |
106 |
188 |
|
|
2 |
A2" |
689 |
698 |
1.012 |
106 |
189 |
|
|
3 |
E' |
1905 |
1883 |
0.989 |
106 |
190 |
|
|
4 |
E' |
776 |
783 |
1.009 |
106 |
191 |
C2H2 |
Acetylene |
1 |
Σg |
3481 |
3374 |
0.969 |
107 |
192 |
|
|
2 |
Σg |
2018 |
1974 |
0.978 |
107 |
193 |
|
|
3 |
Σu |
3387 |
3289 |
0.971 |
107 |
194 |
|
|
4 |
Πg |
536 |
612 |
1.142 |
107 |
195 |
|
|
5 |
Πu |
741 |
730 |
0.985 |
107 |
196 |
SiH3 |
Silyl radical |
1 |
A1 |
2144 |
2136 |
0.996 |
108 |
197 |
|
|
2 |
A1 |
742 |
728 |
0.980 |
108 |
198 |
|
|
3 |
E |
2185 |
2185 |
1.000 |
108 |
199 |
|
|
4 |
E |
915 |
922 |
1.008 |
108 |
200 |
NH3 |
Ammonia |
1 |
A1 |
3413 |
3337 |
0.978 |
109 |
201 |
|
|
2 |
A1 |
1008 |
950 |
0.942 |
109 |
202 |
|
|
3 |
E |
3562 |
3444 |
0.967 |
109 |
203 |
|
|
4 |
E |
1655 |
1627 |
0.983 |
109 |
204 |
C2N2 |
Cyanogen |
1 |
Σg |
2337 |
2330 |
0.997 |
110 |
205 |
|
|
2 |
Σg |
872 |
846 |
0.971 |
110 |
206 |
|
|
3 |
Σu |
2182 |
2158 |
0.989 |
110 |
207 |
|
|
4 |
Πg |
562 |
503 |
0.895 |
110 |
208 |
|
|
5 |
Πu |
242 |
234 |
0.965 |
110 |
209 |
PH3 |
Phosphine |
1 |
A1 |
2340 |
2323 |
0.993 |
111 |
210 |
|
|
2 |
A1 |
1010 |
992 |
0.983 |
111 |
211 |
|
|
3 |
E |
2358 |
2328 |
0.987 |
111 |
212 |
|
|
4 |
E |
1125 |
1118 |
0.994 |
111 |
213 |
P4 |
Phosphorus tetramer |
1 |
A1 |
580 |
601 |
1.035 |
112 |
214 |
|
|
2 |
E |
374 |
361 |
0.965 |
112 |
215 |
|
|
3 |
T2 |
468 |
467 |
0.998 |
112 |
216 |
H2CO |
Formaldehyde |
1 |
A1 |
2836 |
2782 |
0.981 |
113 |
217 |
|
|
2 |
A1 |
1771 |
1746 |
0.986 |
113 |
218 |
|
|
3 |
A1 |
1508 |
1500 |
0.995 |
113 |
219 |
|
|
4 |
B1 |
1160 |
1167 |
1.006 |
113 |
220 |
|
|
5 |
B2 |
2886 |
2843 |
0.985 |
113 |
221 |
|
|
6 |
B2 |
1235 |
1249 |
1.012 |
113 |
222 |
H2O2 |
Hydrogen peroxide |
1 |
A |
3681 |
3599 |
0.978 |
114 |
223 |
|
|
2 |
A |
1409 |
1402 |
0.995 |
114 |
224 |
|
|
3 |
A |
883 |
877 |
0.993 |
114 |
225 |
|
|
4 |
A |
368 |
371 |
1.009 |
114 |
226 |
|
|
5 |
B |
3680 |
3608 |
0.980 |
114 |
227 |
|
|
6 |
B |
1271 |
1266 |
0.996 |
114 |
228 |
HNCO |
Isocyanic acid |
1 |
A' |
3639 |
3538 |
0.972 |
115 |
229 |
|
|
2 |
A' |
2287 |
2269 |
0.992 |
115 |
230 |
|
|
3 |
A' |
1292 |
1327 |
1.027 |
115 |
231 |
|
|
4 |
A' |
773 |
777 |
1.004 |
115 |
232 |
|
|
5 |
A' |
554 |
577 |
1.043 |
115 |
233 |
|
|
6 |
A" |
596 |
656 |
1.101 |
115 |
234 |
HNO2 |
Nitrous acid |
1 |
A' |
3671 |
3591 |
0.978 |
116 |
235 |
|
|
2 |
A' |
1750 |
1700 |
0.972 |
116 |
236 |
|
|
3 |
A' |
1230 |
1263 |
1.027 |
116 |
237 |
|
|
4 |
A' |
757 |
790 |
1.044 |
116 |
238 |
|
|
5 |
A' |
528 |
596 |
1.129 |
116 |
239 |
|
|
6 |
A" |
578 |
543 |
0.939 |
116 |
240 |
B2O2 |
Diboron dioxide |
1 |
Σg |
2040 |
2060 |
1.010 |
117 |
241 |
|
|
2 |
Σg |
599 |
585 |
0.976 |
117 |
242 |
|
|
3 |
Σu |
1878 |
1898 |
1.011 |
117 |
243 |
|
|
4 |
Πg |
485 |
410 |
0.846 |
117 |
244 |
|
|
5 |
Πu |
206 |
213 |
1.035 |
117 |
245 |
H2CS |
Thioformaldehyde |
1 |
A1 |
3017 |
2971 |
0.985 |
118 |
246 |
|
|
2 |
A1 |
1477 |
1456 |
0.986 |
118 |
247 |
|
|
3 |
A1 |
1057 |
1059 |
1.002 |
118 |
248 |
|
|
4 |
B1 |
997 |
990 |
0.993 |
118 |
249 |
|
|
5 |
B2 |
3102 |
3025 |
0.975 |
118 |
250 |
|
|
6 |
B2 |
998 |
991 |
0.993 |
118 |
251 |
H2S2 |
Disulfane |
1 |
A |
2593 |
2556 |
0.986 |
119 |
252 |
|
|
2 |
A |
879 |
882 |
1.003 |
119 |
253 |
|
|
3 |
A |
464 |
515 |
1.108 |
119 |
254 |
|
|
4 |
A |
424 |
417 |
0.985 |
119 |
255 |
|
|
5 |
B |
2596 |
2559 |
0.986 |
119 |
256 |
|
|
6 |
B |
876 |
878 |
1.002 |
119 |
257 |
SO3 |
Sulfur trioxide |
1 |
A1' |
969 |
1065 |
1.100 |
120 |
258 |
|
|
2 |
A2" |
435 |
498 |
1.145 |
120 |
259 |
|
|
3 |
E' |
1281 |
1391 |
1.086 |
120 |
260 |
|
|
4 |
E' |
472 |
530 |
1.122 |
120 |
261 |
BHF2 |
Difluoroborane |
1 |
A1 |
2672 |
2621 |
0.981 |
121 |
262 |
|
|
2 |
A1 |
1109 |
1164 |
1.050 |
121 |
263 |
|
|
3 |
A1 |
512 |
542 |
1.059 |
121 |
264 |
|
|
4 |
B1 |
896 |
924 |
1.031 |
121 |
265 |
|
|
5 |
B2 |
1349 |
1402 |
1.039 |
121 |
266 |
CF2O |
Carbonic difluoride |
1 |
A1 |
1919 |
1928 |
1.005 |
122 |
267 |
|
|
2 |
A1 |
919 |
965 |
1.050 |
122 |
268 |
|
|
3 |
A1 |
550 |
584 |
1.062 |
122 |
269 |
|
|
4 |
B1 |
735 |
774 |
1.053 |
122 |
270 |
|
|
5 |
B2 |
1164 |
1249 |
1.073 |
122 |
271 |
|
|
6 |
B2 |
585 |
626 |
1.070 |
122 |
272 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
844 |
888 |
1.052 |
123 |
273 |
|
|
2 |
A2" |
664 |
691 |
1.041 |
123 |
274 |
|
|
3 |
E' |
1392 |
1449 |
1.041 |
123 |
275 |
|
|
4 |
E' |
456 |
480 |
1.052 |
123 |
276 |
N2F2 |
Dinitrogen difluoride, (E)- |
1 |
Ag |
1530 |
1523 |
0.995 |
124 |
277 |
|
|
2 |
Ag |
967 |
1018 |
1.053 |
124 |
278 |
|
|
3 |
Ag |
573 |
603 |
1.053 |
124 |
279 |
|
|
4 |
Au |
344 |
364 |
1.057 |
124 |
280 |
|
|
5 |
Bu |
931 |
991 |
1.065 |
124 |
281 |
|
|
6 |
Bu |
400 |
423 |
1.059 |
124 |
282 |
CF3 |
Trifluoromethyl radical |
1 |
A1 |
1026 |
1089 |
1.061 |
125 |
283 |
|
|
2 |
A1 |
665 |
701 |
1.054 |
125 |
284 |
|
|
3 |
E |
1175 |
1260 |
1.072 |
125 |
285 |
|
|
4 |
E |
477 |
509 |
1.066 |
125 |
286 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
994 |
1032 |
1.038 |
126 |
287 |
|
|
2 |
A1 |
592 |
647 |
1.093 |
126 |
288 |
|
|
3 |
E |
787 |
907 |
1.152 |
126 |
289 |
|
|
4 |
E |
443 |
492 |
1.109 |
126 |
290 |
AlF3 |
Aluminum trifluoride |
1 |
A1' |
660 |
690 |
1.046 |
127 |
291 |
|
|
2 |
A2" |
284 |
297 |
1.045 |
127 |
292 |
|
|
3 |
E' |
918 |
935 |
1.018 |
127 |
293 |
|
|
4 |
E' |
239 |
263 |
1.099 |
127 |
294 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
813 |
892 |
1.097 |
128 |
295 |
|
|
2 |
A1 |
427 |
487 |
1.141 |
128 |
296 |
|
|
3 |
E |
786 |
860 |
1.095 |
128 |
297 |
|
|
4 |
E |
302 |
344 |
1.138 |
128 |
298 |
BHCl2 |
Borane, dichloro- |
1 |
A1 |
2668 |
2617 |
0.981 |
129 |
299 |
|
|
2 |
A1 |
709 |
740 |
1.044 |
129 |
300 |
|
|
4 |
B1 |
764 |
784 |
1.027 |
129 |
301 |
|
|
5 |
B2 |
1074 |
1089 |
1.014 |
129 |
302 |
|
|
6 |
B2 |
866 |
892 |
1.030 |
129 |
303 |
ClNO2 |
Nitryl chloride |
1 |
A1 |
1328 |
1267 |
0.954 |
130 |
304 |
|
|
2 |
A1 |
768 |
793 |
1.032 |
130 |
305 |
|
|
3 |
A1 |
327 |
364 |
1.113 |
130 |
306 |
|
|
4 |
B1 |
627 |
652 |
1.039 |
130 |
307 |
|
|
5 |
B2 |
1779 |
1684 |
0.947 |
130 |
308 |
|
|
6 |
B2 |
385 |
408 |
1.060 |
130 |
309 |
C2Cl2 |
dichloroacetylene |
4 |
Πg |
183 |
333 |
1.824 |
131 |
310 |
|
|
5 |
Πu |
171 |
172 |
1.008 |
131 |
311 |
CCl2O |
Phosgene |
1 |
A1 |
1827 |
1827 |
1.000 |
132 |
312 |
|
|
2 |
A1 |
536 |
567 |
1.057 |
132 |
313 |
|
|
3 |
A1 |
298 |
285 |
0.956 |
132 |
314 |
|
|
4 |
B1 |
568 |
580 |
1.020 |
132 |
315 |
|
|
5 |
B2 |
779 |
849 |
1.090 |
132 |
316 |
|
|
6 |
B2 |
419 |
440 |
1.050 |
132 |
317 |
AlF2Cl |
Aluminum chloride difluoride |
1 |
A1 |
790 |
820 |
1.038 |
133 |
318 |
|
|
2 |
A1 |
488 |
500 |
1.025 |
133 |
319 |
|
|
3 |
A1 |
227 |
250 |
1.101 |
133 |
320 |
|
|
4 |
B1 |
250 |
260 |
1.039 |
133 |
321 |
|
|
5 |
B2 |
909 |
900 |
0.990 |
133 |
322 |
|
|
6 |
B2 |
181 |
200 |
1.105 |
133 |
323 |
BCl3 |
Borane, trichloro- |
1 |
A1' |
459 |
471 |
1.027 |
134 |
324 |
|
|
2 |
A2" |
443 |
460 |
1.038 |
134 |
325 |
|
|
3 |
E' |
916 |
956 |
1.044 |
134 |
326 |
|
|
4 |
E' |
256 |
243 |
0.947 |
134 |
327 |
AlFCl2 |
Aluminum dichloride fluoride |
1 |
A1 |
841 |
850 |
1.011 |
135 |
328 |
|
|
2 |
A1 |
419 |
450 |
1.074 |
135 |
329 |
|
|
3 |
A1 |
148 |
150 |
1.016 |
135 |
330 |
|
|
4 |
B1 |
218 |
220 |
1.008 |
135 |
331 |
|
|
5 |
B2 |
609 |
610 |
1.001 |
135 |
332 |
|
|
6 |
B2 |
194 |
200 |
1.031 |
135 |
333 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
369 |
375 |
1.015 |
136 |
334 |
|
|
2 |
A2" |
192 |
183 |
0.952 |
136 |
335 |
|
|
3 |
E' |
601 |
595 |
0.990 |
136 |
336 |
|
|
4 |
E' |
143 |
150 |
1.047 |
136 |
337 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
469 |
504 |
1.074 |
137 |
338 |
|
|
2 |
A1 |
239 |
252 |
1.056 |
137 |
339 |
|
|
3 |
E |
447 |
482 |
1.079 |
137 |
340 |
|
|
4 |
E |
170 |
198 |
1.164 |
137 |
341 |
ClSSCl |
Disulfur dichloride |
1 |
A |
554 |
546 |
0.986 |
138 |
342 |
|
|
2 |
A |
372 |
466 |
1.252 |
138 |
343 |
|
|
3 |
A |
196 |
202 |
1.031 |
138 |
344 |
|
|
4 |
A |
90 |
95 |
1.050 |
138 |
345 |
|
|
5 |
B |
356 |
461 |
1.295 |
138 |
346 |
|
|
6 |
B |
219 |
244 |
1.116 |
138 |
347 |
CH4 |
Methane |
1 |
A1 |
2987 |
2917 |
0.977 |
139 |
348 |
|
|
2 |
E |
1539 |
1534 |
0.997 |
139 |
349 |
|
|
3 |
T2 |
3107 |
3019 |
0.972 |
139 |
350 |
|
|
4 |
T2 |
1320 |
1306 |
0.990 |
139 |
351 |
SiH4 |
Silane |
1 |
A1 |
2198 |
2187 |
0.995 |
140 |
352 |
|
|
2 |
E |
960 |
975 |
1.016 |
140 |
353 |
|
|
3 |
T2 |
2210 |
2191 |
0.991 |
140 |
354 |
|
|
4 |
T2 |
897 |
914 |
1.019 |
140 |
355 |
CH2NH |
Methanimine |
1 |
A' |
3366 |
3263 |
0.969 |
141 |
356 |
|
|
2 |
A' |
3082 |
3024 |
0.981 |
141 |
357 |
|
|
3 |
A' |
2962 |
2914 |
0.984 |
141 |
358 |
|
|
4 |
A' |
1668 |
1638 |
0.982 |
141 |
359 |
|
|
5 |
A' |
1468 |
1452 |
0.989 |
141 |
360 |
|
|
6 |
A' |
1345 |
1344 |
0.999 |
141 |
361 |
|
|
7 |
A' |
1053 |
1058 |
1.005 |
141 |
362 |
|
|
8 |
A" |
1137 |
1127 |
0.991 |
141 |
363 |
|
|
9 |
A" |
1061 |
1061 |
1.000 |
141 |
364 |
NH2OH |
hydroxylamine |
1 |
A' |
3736 |
3650 |
0.977 |
142 |
365 |
|
|
2 |
A' |
3361 |
3294 |
0.980 |
142 |
366 |
|
|
3 |
A' |
1643 |
1605 |
0.976 |
142 |
367 |
|
|
4 |
A' |
1370 |
1353 |
0.988 |
142 |
368 |
|
|
5 |
A' |
1130 |
1115 |
0.987 |
142 |
369 |
|
|
6 |
A' |
866 |
895 |
1.033 |
142 |
370 |
|
|
7 |
A" |
3456 |
3359 |
0.972 |
142 |
371 |
|
|
8 |
A" |
1302 |
1295 |
0.995 |
142 |
372 |
|
|
9 |
A" |
427 |
386 |
0.905 |
142 |
373 |
CH2CO |
Ketene |
1 |
A1 |
3150 |
3070 |
0.975 |
143 |
374 |
|
|
2 |
A1 |
2165 |
2152 |
0.994 |
143 |
375 |
|
|
3 |
A1 |
1378 |
1388 |
1.007 |
143 |
376 |
|
|
4 |
A1 |
1143 |
1118 |
0.978 |
143 |
377 |
|
|
5 |
B1 |
562 |
588 |
1.047 |
143 |
378 |
|
|
6 |
B1 |
492 |
528 |
1.073 |
143 |
379 |
|
|
7 |
B2 |
3244 |
3166 |
0.976 |
143 |
380 |
|
|
8 |
B2 |
964 |
977 |
1.013 |
143 |
381 |
|
|
9 |
B2 |
422 |
433 |
1.026 |
143 |
382 |
HCOOH |
Formic acid |
1 |
A' |
3647 |
3570 |
0.979 |
144 |
383 |
|
|
2 |
A' |
3023 |
2943 |
0.974 |
144 |
384 |
|
|
3 |
A' |
1770 |
1770 |
1.000 |
144 |
385 |
|
|
4 |
A' |
1373 |
1387 |
1.010 |
144 |
386 |
|
|
5 |
A' |
1262 |
1229 |
0.974 |
144 |
387 |
|
|
6 |
A' |
1089 |
1105 |
1.015 |
144 |
388 |
|
|
7 |
A' |
606 |
625 |
1.031 |
144 |
389 |
|
|
8 |
A" |
1012 |
1033 |
1.021 |
144 |
390 |
|
|
9 |
A" |
683 |
638 |
0.935 |
144 |
391 |
HNO3 |
Nitric acid |
1 |
A' |
3640 |
3550 |
0.975 |
145 |
392 |
|
|
2 |
A' |
1737 |
1708 |
0.983 |
145 |
393 |
|
|
3 |
A' |
1312 |
1331 |
1.014 |
145 |
394 |
|
|
4 |
A' |
1274 |
1325 |
1.040 |
145 |
395 |
|
|
5 |
A' |
832 |
879 |
1.056 |
145 |
396 |
|
|
6 |
A' |
584 |
647 |
1.108 |
145 |
397 |
|
|
7 |
A' |
551 |
579 |
1.051 |
145 |
398 |
|
|
8 |
A" |
737 |
762 |
1.034 |
145 |
399 |
|
|
9 |
A" |
463 |
456 |
0.986 |
145 |
400 |
C3O2 |
Carbon suboxide |
1 |
Σg |
2199 |
2196 |
0.999 |
146 |
401 |
|
|
2 |
Σg |
765 |
786 |
1.027 |
146 |
402 |
|
|
3 |
Σu |
2371 |
2258 |
0.952 |
146 |
403 |
|
|
4 |
Σu |
1591 |
1573 |
0.989 |
146 |
404 |
|
|
5 |
Πg |
569 |
573 |
1.007 |
146 |
405 |
|
|
6 |
Πu |
660 |
550 |
0.834 |
146 |
406 |
|
|
7 |
Πu |
162 |
61 |
0.376 |
146 |
407 |
CH3F |
Methyl fluoride |
1 |
A1 |
2987 |
2930 |
0.981 |
147 |
408 |
|
|
2 |
A1 |
1455 |
1464 |
1.006 |
147 |
409 |
|
|
3 |
A1 |
1005 |
1049 |
1.044 |
147 |
410 |
|
|
4 |
E |
3081 |
3006 |
0.976 |
147 |
411 |
|
|
5 |
E |
1467 |
1467 |
1.000 |
147 |
412 |
|
|
6 |
E |
1164 |
1182 |
1.015 |
147 |
413 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
3013 |
2948 |
0.978 |
148 |
414 |
|
|
2 |
A1 |
1495 |
1508 |
1.009 |
148 |
415 |
|
|
3 |
A1 |
1064 |
1111 |
1.044 |
148 |
416 |
|
|
4 |
A1 |
498 |
529 |
1.062 |
148 |
417 |
|
|
5 |
A2 |
1235 |
1262 |
1.022 |
148 |
418 |
|
|
6 |
B1 |
3092 |
3014 |
0.975 |
148 |
419 |
|
|
7 |
B1 |
1148 |
1178 |
1.026 |
148 |
420 |
|
|
8 |
B2 |
1421 |
1435 |
1.010 |
148 |
421 |
|
|
9 |
B2 |
1023 |
1090 |
1.066 |
148 |
422 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
3099 |
3036 |
0.980 |
149 |
423 |
|
|
2 |
A1 |
1089 |
1117 |
1.026 |
149 |
424 |
|
|
3 |
A1 |
661 |
700 |
1.059 |
149 |
425 |
|
|
4 |
E |
1346 |
1372 |
1.020 |
149 |
426 |
|
|
5 |
E |
1087 |
1152 |
1.060 |
149 |
427 |
|
|
6 |
E |
477 |
507 |
1.064 |
149 |
428 |
FNO3 |
Fluorine nitrate |
1 |
A' |
1826 |
1759 |
0.963 |
150 |
429 |
|
|
2 |
A' |
1329 |
1301 |
0.979 |
150 |
430 |
|
|
3 |
A' |
925 |
928 |
1.003 |
150 |
431 |
|
|
4 |
A' |
768 |
804 |
1.046 |
150 |
432 |
|
|
5 |
A' |
595 |
633 |
1.064 |
150 |
433 |
|
|
6 |
A' |
386 |
455 |
1.180 |
150 |
434 |
|
|
7 |
A' |
257 |
303 |
1.178 |
150 |
435 |
|
|
8 |
A" |
669 |
709 |
1.060 |
150 |
436 |
|
|
9 |
A" |
162 |
152 |
0.937 |
150 |
437 |
CF4 |
Carbon tetrafluoride |
1 |
A1 |
857 |
909 |
1.061 |
151 |
438 |
|
|
2 |
E |
407 |
435 |
1.068 |
151 |
439 |
|
|
3 |
T2 |
1197 |
1283 |
1.072 |
151 |
440 |
|
|
4 |
T2 |
592 |
631 |
1.066 |
151 |
441 |
SiH3F |
monofluorosilane |
1 |
A1 |
2213 |
2206 |
0.997 |
152 |
442 |
|
|
2 |
A1 |
973 |
990 |
1.017 |
152 |
443 |
|
|
3 |
A1 |
816 |
872 |
1.069 |
152 |
444 |
|
|
4 |
E |
2225 |
2196 |
0.987 |
152 |
445 |
|
|
5 |
E |
945 |
956 |
1.012 |
152 |
446 |
|
|
6 |
E |
703 |
728 |
1.036 |
152 |
447 |
SiF4 |
Silicon tetrafluoride |
1 |
A1 |
742 |
800 |
1.079 |
153 |
448 |
|
|
2 |
E |
243 |
268 |
1.104 |
153 |
449 |
|
|
3 |
T2 |
977 |
1032 |
1.056 |
153 |
450 |
|
|
4 |
T2 |
362 |
389 |
1.074 |
153 |
451 |
F3PO |
Phosphoryl fluoride |
1 |
A1 |
1345 |
1417 |
1.054 |
154 |
452 |
|
|
2 |
A1 |
788 |
873 |
1.108 |
154 |
453 |
|
|
3 |
A1 |
436 |
472 |
1.082 |
154 |
454 |
|
|
4 |
E |
912 |
991 |
1.086 |
154 |
455 |
|
|
5 |
E |
424 |
482 |
1.136 |
154 |
456 |
|
|
6 |
E |
300 |
336 |
1.119 |
154 |
457 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3028 |
2966 |
0.979 |
155 |
458 |
|
|
2 |
A1 |
1368 |
1355 |
0.991 |
155 |
459 |
|
|
3 |
A1 |
683 |
732 |
1.072 |
155 |
460 |
|
|
4 |
E |
3136 |
3042 |
0.970 |
155 |
461 |
|
|
5 |
E |
1458 |
1455 |
0.997 |
155 |
462 |
|
|
6 |
E |
1016 |
1015 |
0.999 |
155 |
463 |
SiH3Cl |
chlorosilane |
1 |
A1 |
2213 |
2201 |
0.994 |
156 |
464 |
|
|
2 |
A1 |
939 |
949 |
1.010 |
156 |
465 |
|
|
3 |
A1 |
514 |
551 |
1.073 |
156 |
466 |
|
|
4 |
E |
2231 |
2195 |
0.984 |
156 |
467 |
|
|
5 |
E |
935 |
954 |
1.020 |
156 |
468 |
|
|
6 |
E |
647 |
664 |
1.027 |
156 |
469 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
3076 |
2999 |
0.975 |
157 |
470 |
|
|
2 |
A1 |
1435 |
1467 |
1.022 |
157 |
471 |
|
|
3 |
A1 |
675 |
717 |
1.062 |
157 |
472 |
|
|
4 |
A1 |
278 |
282 |
1.016 |
157 |
473 |
|
|
5 |
A2 |
1160 |
1153 |
0.994 |
157 |
474 |
|
|
6 |
B1 |
3162 |
3040 |
0.962 |
157 |
475 |
|
|
7 |
B1 |
891 |
898 |
1.008 |
157 |
476 |
|
|
8 |
B2 |
1281 |
1268 |
0.990 |
157 |
477 |
|
|
9 |
B2 |
673 |
758 |
1.126 |
157 |
478 |
CF3Cl |
Methane, chlorotrifluoro- |
1 |
A1 |
1031 |
1105 |
1.072 |
158 |
479 |
|
|
2 |
A1 |
739 |
781 |
1.057 |
158 |
480 |
|
|
3 |
A1 |
442 |
476 |
1.078 |
158 |
481 |
|
|
4 |
E |
1146 |
1212 |
1.057 |
158 |
482 |
|
|
5 |
E |
531 |
563 |
1.060 |
158 |
483 |
|
|
6 |
E |
332 |
350 |
1.055 |
158 |
484 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2229 |
2224 |
0.998 |
159 |
485 |
|
|
2 |
A1 |
933 |
954 |
1.022 |
159 |
486 |
|
|
3 |
A1 |
496 |
527 |
1.062 |
159 |
487 |
|
|
4 |
A1 |
180 |
188 |
1.043 |
159 |
488 |
|
|
5 |
A2 |
689 |
710 |
1.031 |
159 |
489 |
|
|
6 |
B1 |
2249 |
2237 |
0.995 |
159 |
490 |
|
|
7 |
B1 |
574 |
602 |
1.048 |
159 |
491 |
|
|
8 |
B2 |
858 |
876 |
1.021 |
159 |
492 |
|
|
9 |
B2 |
554 |
590 |
1.065 |
159 |
493 |
ClFO3 |
Perchloryl fluoride |
1 |
A1 |
931 |
1061 |
1.140 |
160 |
494 |
|
|
2 |
A1 |
616 |
715 |
1.162 |
160 |
495 |
|
|
3 |
A1 |
445 |
549 |
1.234 |
160 |
496 |
|
|
4 |
E |
1161 |
1315 |
1.132 |
160 |
497 |
|
|
5 |
E |
492 |
589 |
1.197 |
160 |
498 |
|
|
6 |
E |
321 |
405 |
1.262 |
160 |
499 |
CHCl3 |
Chloroform |
1 |
A1 |
3134 |
3034 |
0.968 |
161 |
500 |
|
|
2 |
A1 |
645 |
680 |
1.054 |
161 |
501 |
|
|
3 |
A1 |
358 |
366 |
1.021 |
161 |
502 |
|
|
4 |
E |
1219 |
1220 |
1.000 |
161 |
503 |
|
|
5 |
E |
679 |
774 |
1.139 |
161 |
504 |
|
|
6 |
E |
255 |
260 |
1.019 |
161 |
505 |
CF2Cl2 |
difluorodichloromethane |
1 |
A1 |
1039 |
1101 |
1.059 |
162 |
506 |
|
|
2 |
A1 |
631 |
667 |
1.057 |
162 |
507 |
|
|
3 |
A1 |
426 |
458 |
1.075 |
162 |
508 |
|
|
4 |
A1 |
255 |
262 |
1.026 |
162 |
509 |
|
|
5 |
A2 |
309 |
322 |
1.042 |
162 |
510 |
|
|
6 |
B1 |
831 |
902 |
1.085 |
162 |
511 |
|
|
7 |
B1 |
411 |
437 |
1.064 |
162 |
512 |
|
|
8 |
B2 |
1099 |
1159 |
1.055 |
162 |
513 |
|
|
9 |
B2 |
422 |
446 |
1.058 |
162 |
514 |
CFCl3 |
Trichloromonofluoromethane |
1 |
A1 |
1030 |
1085 |
1.053 |
163 |
515 |
|
|
2 |
A1 |
501 |
535 |
1.068 |
163 |
516 |
|
|
3 |
A1 |
340 |
350 |
1.028 |
163 |
517 |
|
|
4 |
E |
757 |
847 |
1.120 |
163 |
518 |
|
|
5 |
E |
378 |
394 |
1.042 |
163 |
519 |
|
|
6 |
E |
239 |
241 |
1.010 |
163 |
520 |
SO2Cl2 |
Sulfuryl chloride |
1 |
A1 |
1108 |
1205 |
1.087 |
164 |
521 |
|
|
2 |
A1 |
502 |
577 |
1.150 |
164 |
522 |
|
|
3 |
A1 |
333 |
408 |
1.225 |
164 |
523 |
|
|
4 |
A1 |
182 |
218 |
1.199 |
164 |
524 |
|
|
5 |
A2 |
246 |
282 |
1.146 |
164 |
525 |
|
|
6 |
B1 |
515 |
586 |
1.137 |
164 |
526 |
|
|
7 |
B1 |
321 |
388 |
1.209 |
164 |
527 |
|
|
8 |
B2 |
1337 |
1434 |
1.072 |
164 |
528 |
|
|
9 |
B2 |
321 |
362 |
1.127 |
164 |
529 |
SiHCl3 |
Trichlorosilane |
1 |
A1 |
2262 |
2261 |
1.000 |
165 |
530 |
|
|
2 |
A1 |
467 |
499 |
1.069 |
165 |
531 |
|
|
3 |
A1 |
243 |
254 |
1.046 |
165 |
532 |
|
|
4 |
E |
781 |
811 |
1.038 |
165 |
533 |
|
|
5 |
E |
568 |
600 |
1.057 |
165 |
534 |
|
|
6 |
E |
169 |
176 |
1.044 |
165 |
535 |
CCl4 |
Carbon tetrachloride |
1 |
A1 |
432 |
459 |
1.063 |
166 |
536 |
|
|
2 |
E |
213 |
217 |
1.018 |
166 |
537 |
|
|
3 |
T2 |
686 |
776 |
1.132 |
166 |
538 |
|
|
4 |
T2 |
308 |
314 |
1.019 |
166 |
539 |
Cl3PO |
Phosphoryl chloride |
1 |
A1 |
1255 |
1322 |
1.053 |
167 |
540 |
|
|
2 |
A1 |
436 |
481 |
1.104 |
167 |
541 |
|
|
3 |
A1 |
251 |
266 |
1.060 |
167 |
542 |
|
|
4 |
E |
543 |
590 |
1.086 |
167 |
543 |
|
|
5 |
E |
309 |
333 |
1.079 |
167 |
544 |
|
|
6 |
E |
176 |
187 |
1.062 |
167 |
545 |
SiCl4 |
Silane, tetrachloro- |
1 |
A1 |
395 |
424 |
1.072 |
168 |
546 |
|
|
2 |
E |
141 |
150 |
1.061 |
168 |
547 |
|
|
3 |
T2 |
587 |
621 |
1.057 |
168 |
548 |
|
|
4 |
T2 |
213 |
221 |
1.036 |
168 |
549 |
C2H4 |
Ethylene |
1 |
Ag |
3105 |
3026 |
0.975 |
169 |
550 |
|
|
2 |
Ag |
1655 |
1623 |
0.980 |
169 |
551 |
|
|
3 |
Ag |
1355 |
1342 |
0.991 |
169 |
552 |
|
|
4 |
Au |
1034 |
1023 |
0.990 |
169 |
553 |
|
|
5 |
B1u |
3090 |
2989 |
0.967 |
169 |
554 |
|
|
6 |
B1u |
1445 |
1444 |
0.999 |
169 |
555 |
|
|
7 |
B2g |
924 |
940 |
1.017 |
169 |
556 |
|
|
8 |
B2u |
3194 |
3105 |
0.972 |
169 |
557 |
|
|
9 |
B2u |
817 |
826 |
1.011 |
169 |
558 |
|
|
10 |
B3g |
3166 |
3086 |
0.975 |
169 |
559 |
|
|
11 |
B3g |
1212 |
1217 |
1.004 |
169 |
560 |
|
|
12 |
B3u |
943 |
949 |
1.006 |
169 |
561 |
C3H3 |
Propargyl radical |
1 |
A1 |
3429 |
3322 |
0.969 |
170 |
562 |
|
|
6 |
B1 |
665 |
687 |
1.033 |
170 |
563 |
|
|
7 |
B1 |
412 |
490 |
1.188 |
170 |
564 |
C4H2 |
Diacetylene |
6 |
Πg |
687 |
627 |
0.912 |
171 |
565 |
|
|
7 |
Πg |
589 |
482 |
0.818 |
171 |
566 |
|
|
8 |
Πu |
588 |
630 |
1.072 |
171 |
567 |
|
|
9 |
Πu |
256 |
231 |
0.901 |
171 |
568 |
N2H4 |
Hydrazine |
1 |
A |
3508 |
3398 |
0.969 |
172 |
569 |
|
|
2 |
A |
3388 |
3329 |
0.983 |
172 |
570 |
|
|
3 |
A |
1674 |
1642 |
0.981 |
172 |
571 |
|
|
4 |
A |
1307 |
1275 |
0.976 |
172 |
572 |
|
|
5 |
A |
1095 |
1076 |
0.983 |
172 |
573 |
|
|
6 |
A |
772 |
780 |
1.010 |
172 |
574 |
|
|
7 |
A |
448 |
377 |
0.842 |
172 |
575 |
|
|
8 |
B |
3513 |
3350 |
0.954 |
172 |
576 |
|
|
9 |
B |
3378 |
3314 |
0.981 |
172 |
577 |
|
|
10 |
B |
1655 |
1628 |
0.984 |
172 |
578 |
|
|
11 |
B |
1274 |
1275 |
1.001 |
172 |
579 |
|
|
12 |
B |
960 |
966 |
1.006 |
172 |
580 |
CH3CN |
Acetonitrile |
1 |
A1 |
3007 |
2954 |
0.982 |
173 |
581 |
|
|
2 |
A1 |
2289 |
2267 |
0.990 |
173 |
582 |
|
|
3 |
A1 |
1382 |
1385 |
1.002 |
173 |
583 |
|
|
4 |
A1 |
912 |
920 |
1.009 |
173 |
584 |
|
|
5 |
E |
3089 |
3009 |
0.974 |
173 |
585 |
|
|
6 |
E |
1450 |
1448 |
0.999 |
173 |
586 |
|
|
7 |
E |
1034 |
1041 |
1.006 |
173 |
587 |
|
|
8 |
E |
364 |
362 |
0.996 |
173 |
588 |
C4N2 |
2-Butynedinitrile |
1 |
Σg |
2288 |
2290 |
1.001 |
174 |
589 |
|
|
2 |
Σg |
2134 |
2119 |
0.993 |
174 |
590 |
|
|
3 |
Σg |
613 |
692 |
1.129 |
174 |
591 |
|
|
4 |
Σu |
2257 |
2241 |
0.993 |
174 |
592 |
|
|
5 |
Σu |
1185 |
1154 |
0.974 |
174 |
593 |
|
|
6 |
Πg |
605 |
504 |
0.834 |
174 |
594 |
|
|
7 |
Πg |
294 |
263 |
0.894 |
174 |
595 |
|
|
8 |
Πu |
538 |
472 |
0.877 |
174 |
596 |
|
|
9 |
Πu |
117 |
107 |
0.915 |
174 |
597 |
CH3OH |
Methyl alcohol |
1 |
A' |
3763 |
3681 |
0.978 |
175 |
598 |
|
|
2 |
A' |
3082 |
3000 |
0.973 |
175 |
599 |
|
|
3 |
A' |
2939 |
2844 |
0.968 |
175 |
600 |
|
|
4 |
A' |
1483 |
1477 |
0.996 |
175 |
601 |
|
|
5 |
A' |
1456 |
1455 |
1.000 |
175 |
602 |
|
|
6 |
A' |
1336 |
1345 |
1.007 |
175 |
603 |
|
|
7 |
A' |
1055 |
1060 |
1.005 |
175 |
604 |
|
|
8 |
A' |
1014 |
1033 |
1.018 |
175 |
605 |
|
|
9 |
A" |
2992 |
2960 |
0.989 |
175 |
606 |
|
|
10 |
A" |
1471 |
1477 |
1.004 |
175 |
607 |
|
|
11 |
A" |
1150 |
1165 |
1.013 |
175 |
608 |
|
|
12 |
A" |
316 |
200 |
0.633 |
175 |
609 |
CHONH2 |
formamide |
1 |
A' |
3674 |
3564 |
0.970 |
176 |
610 |
|
|
2 |
A' |
3524 |
3439 |
0.976 |
176 |
611 |
|
|
3 |
A' |
2901 |
2854 |
0.984 |
176 |
612 |
|
|
4 |
A' |
1753 |
1754 |
1.001 |
176 |
613 |
|
|
5 |
A' |
1590 |
1577 |
0.992 |
176 |
614 |
|
|
6 |
A' |
1386 |
1390 |
1.003 |
176 |
615 |
|
|
7 |
A' |
1238 |
1258 |
1.016 |
176 |
616 |
|
|
8 |
A' |
1027 |
1046 |
1.018 |
176 |
617 |
|
|
9 |
A' |
552 |
581 |
1.052 |
176 |
618 |
|
|
10 |
A" |
999 |
1021 |
1.023 |
176 |
619 |
|
|
11 |
A" |
634 |
603 |
0.951 |
176 |
620 |
|
|
12 |
A" |
231 |
289 |
1.249 |
176 |
621 |
C2H2O2 |
Ethanedial |
1 |
Ag |
2896 |
2843 |
0.982 |
177 |
622 |
|
|
2 |
Ag |
1740 |
1745 |
1.003 |
177 |
623 |
|
|
3 |
Ag |
1352 |
1338 |
0.990 |
177 |
624 |
|
|
4 |
Ag |
1030 |
1065 |
1.034 |
177 |
625 |
|
|
5 |
Ag |
533 |
551 |
1.033 |
177 |
626 |
|
|
6 |
Au |
779 |
801 |
1.028 |
177 |
627 |
|
|
7 |
Au |
118 |
127 |
1.080 |
177 |
628 |
|
|
8 |
Bg |
1036 |
1048 |
1.012 |
177 |
629 |
|
|
9 |
Bu |
2891 |
2835 |
0.981 |
177 |
630 |
|
|
10 |
Bu |
1742 |
1732 |
0.994 |
177 |
631 |
|
|
11 |
Bu |
1308 |
1312 |
1.003 |
177 |
632 |
|
|
12 |
Bu |
333 |
339 |
1.019 |
177 |
633 |
CH3SH |
Methanethiol |
1 |
A' |
3111 |
3000 |
0.964 |
178 |
634 |
|
|
2 |
A' |
3010 |
2931 |
0.974 |
178 |
635 |
|
|
3 |
A' |
2645 |
2597 |
0.982 |
178 |
636 |
|
|
4 |
A' |
1464 |
1475 |
1.007 |
178 |
637 |
|
|
5 |
A' |
1347 |
1335 |
0.991 |
178 |
638 |
|
|
6 |
A' |
1083 |
1074 |
0.991 |
178 |
639 |
|
|
7 |
A' |
791 |
803 |
1.015 |
178 |
640 |
|
|
8 |
A' |
676 |
708 |
1.047 |
178 |
641 |
|
|
9 |
A" |
3102 |
3000 |
0.967 |
178 |
642 |
|
|
10 |
A" |
1453 |
1430 |
0.984 |
178 |
643 |
|
|
11 |
A" |
964 |
976 |
1.013 |
178 |
644 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3232 |
3115 |
0.964 |
179 |
645 |
|
|
2 |
A' |
3169 |
3080 |
0.972 |
179 |
646 |
|
|
3 |
A' |
3133 |
3052 |
0.974 |
179 |
647 |
|
|
4 |
A' |
1667 |
1654 |
0.992 |
179 |
648 |
|
|
5 |
A' |
1383 |
1380 |
0.998 |
179 |
649 |
|
|
6 |
A' |
1305 |
1306 |
1.000 |
179 |
650 |
|
|
7 |
A' |
1130 |
1156 |
1.023 |
179 |
651 |
|
|
8 |
A' |
907 |
929 |
1.024 |
179 |
652 |
|
|
9 |
A' |
473 |
483 |
1.021 |
179 |
653 |
|
|
10 |
A" |
926 |
940 |
1.016 |
179 |
654 |
|
|
11 |
A" |
841 |
863 |
1.026 |
179 |
655 |
|
|
12 |
A" |
702 |
711 |
1.012 |
179 |
656 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
3161 |
3070 |
0.971 |
180 |
657 |
|
|
2 |
A1 |
1727 |
1728 |
1.000 |
180 |
658 |
|
|
3 |
A1 |
1385 |
1360 |
0.982 |
180 |
659 |
|
|
4 |
A1 |
901 |
926 |
1.028 |
180 |
660 |
|
|
5 |
A1 |
524 |
550 |
1.049 |
180 |
661 |
|
|
6 |
A2 |
694 |
714 |
1.029 |
180 |
662 |
|
|
7 |
B1 |
780 |
803 |
1.029 |
180 |
663 |
|
|
8 |
B1 |
591 |
611 |
1.034 |
180 |
664 |
|
|
9 |
B2 |
3264 |
3154 |
0.966 |
180 |
665 |
|
|
10 |
B2 |
1251 |
1302 |
1.041 |
180 |
666 |
|
|
11 |
B2 |
934 |
955 |
1.023 |
180 |
667 |
|
|
12 |
B2 |
426 |
438 |
1.028 |
180 |
668 |
CF3CN |
Acetonitrile, trifluoro- |
1 |
A1 |
2303 |
2275 |
0.988 |
181 |
669 |
|
|
2 |
A1 |
1180 |
1227 |
1.040 |
181 |
670 |
|
|
3 |
A1 |
773 |
802 |
1.038 |
181 |
671 |
|
|
4 |
A1 |
501 |
522 |
1.043 |
181 |
672 |
|
|
5 |
E |
1127 |
1214 |
1.077 |
181 |
673 |
|
|
6 |
E |
598 |
618 |
1.034 |
181 |
674 |
|
|
7 |
E |
439 |
463 |
1.054 |
181 |
675 |
|
|
8 |
E |
181 |
196 |
1.081 |
181 |
676 |
C2F4 |
Tetrafluoroethylene |
1 |
Ag |
1852 |
1872 |
1.011 |
182 |
677 |
|
|
2 |
Ag |
764 |
778 |
1.019 |
182 |
678 |
|
|
3 |
Ag |
384 |
394 |
1.027 |
182 |
679 |
|
|
4 |
Au |
187 |
190 |
1.015 |
182 |
680 |
|
|
5 |
B1u |
1142 |
1186 |
1.038 |
182 |
681 |
|
|
6 |
B1u |
530 |
558 |
1.052 |
182 |
682 |
|
|
7 |
B2g |
465 |
508 |
1.093 |
182 |
683 |
|
|
8 |
B2u |
1278 |
1337 |
1.046 |
182 |
684 |
|
|
9 |
B2u |
204 |
218 |
1.070 |
182 |
685 |
|
|
10 |
B3g |
1277 |
1340 |
1.049 |
182 |
686 |
|
|
11 |
B3g |
528 |
551 |
1.043 |
182 |
687 |
|
|
12 |
B3u |
394 |
406 |
1.031 |
182 |
688 |
PF5 |
Phosphorus pentafluoride |
1 |
A1' |
725 |
816 |
1.125 |
183 |
689 |
|
|
2 |
A1' |
606 |
648 |
1.070 |
183 |
690 |
|
|
3 |
A2" |
902 |
947 |
1.049 |
183 |
691 |
|
|
4 |
A2" |
518 |
575 |
1.109 |
183 |
692 |
|
|
5 |
E' |
942 |
1024 |
1.087 |
183 |
693 |
|
|
6 |
E' |
479 |
533 |
1.113 |
183 |
694 |
|
|
7 |
E' |
151 |
174 |
1.156 |
183 |
695 |
|
|
8 |
E" |
458 |
520 |
1.135 |
183 |
696 |
HSO3F |
Fluorosulfonic acid |
1 |
A |
3667 |
3602 |
0.982 |
184 |
697 |
|
|
2 |
A |
1387 |
1486 |
1.071 |
184 |
698 |
|
|
3 |
A |
1147 |
1243 |
1.084 |
184 |
699 |
|
|
4 |
A |
1133 |
1150 |
1.015 |
184 |
700 |
|
|
5 |
A |
778 |
896 |
1.151 |
184 |
701 |
|
|
6 |
A |
711 |
823 |
1.158 |
184 |
702 |
|
|
7 |
A |
485 |
562 |
1.159 |
184 |
703 |
|
|
8 |
A |
467 |
551 |
1.179 |
184 |
704 |
|
|
9 |
A |
454 |
518 |
1.140 |
184 |
705 |
|
|
10 |
A |
380 |
409 |
1.076 |
184 |
706 |
|
|
11 |
A |
330 |
390 |
1.181 |
184 |
707 |
|
|
12 |
A |
262 |
266 |
1.015 |
184 |
708 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3215 |
3121 |
0.971 |
185 |
709 |
|
|
2 |
A' |
3170 |
3086 |
0.973 |
185 |
710 |
|
|
3 |
A' |
3118 |
3030 |
0.972 |
185 |
711 |
|
|
4 |
A' |
1627 |
1608 |
0.989 |
185 |
712 |
|
|
5 |
A' |
1378 |
1368 |
0.993 |
185 |
713 |
|
|
6 |
A' |
1284 |
1279 |
0.996 |
185 |
714 |
|
|
7 |
A' |
1019 |
1030 |
1.011 |
185 |
715 |
|
|
8 |
A' |
682 |
720 |
1.055 |
185 |
716 |
|
|
9 |
A' |
394 |
395 |
1.002 |
185 |
717 |
|
|
10 |
A" |
940 |
941 |
1.002 |
185 |
718 |
|
|
11 |
A" |
871 |
896 |
1.028 |
185 |
719 |
|
|
12 |
A" |
617 |
620 |
1.005 |
185 |
720 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
3133 |
3035 |
0.969 |
186 |
721 |
|
|
2 |
A1 |
1619 |
1627 |
1.005 |
186 |
722 |
|
|
3 |
A1 |
1376 |
1400 |
1.017 |
186 |
723 |
|
|
4 |
A1 |
581 |
603 |
1.037 |
186 |
724 |
|
|
5 |
A1 |
299 |
299 |
1.001 |
186 |
725 |
|
|
6 |
A2 |
666 |
686 |
1.031 |
186 |
726 |
|
|
7 |
B1 |
834 |
875 |
1.049 |
186 |
727 |
|
|
8 |
B1 |
461 |
460 |
0.998 |
186 |
728 |
|
|
9 |
B2 |
3234 |
3130 |
0.968 |
186 |
729 |
|
|
10 |
B2 |
1064 |
1095 |
1.029 |
186 |
730 |
|
|
11 |
B2 |
735 |
800 |
1.088 |
186 |
731 |
|
|
12 |
B2 |
376 |
372 |
0.990 |
186 |
732 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3186 |
3077 |
0.966 |
187 |
733 |
|
|
2 |
A1 |
1606 |
1587 |
0.988 |
187 |
734 |
|
|
3 |
A1 |
1198 |
1179 |
0.984 |
187 |
735 |
|
|
4 |
A1 |
689 |
711 |
1.032 |
187 |
736 |
|
|
5 |
A1 |
166 |
173 |
1.042 |
187 |
737 |
|
|
6 |
A2 |
846 |
876 |
1.036 |
187 |
738 |
|
|
7 |
A2 |
407 |
406 |
0.998 |
187 |
739 |
|
|
8 |
B1 |
683 |
697 |
1.021 |
187 |
740 |
|
|
9 |
B2 |
3166 |
3072 |
0.970 |
187 |
741 |
|
|
10 |
B2 |
1293 |
1303 |
1.008 |
187 |
742 |
|
|
11 |
B2 |
830 |
857 |
1.033 |
187 |
743 |
|
|
12 |
B2 |
563 |
571 |
1.015 |
187 |
744 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3183 |
3073 |
0.965 |
188 |
745 |
|
|
2 |
Ag |
1603 |
1578 |
0.984 |
188 |
746 |
|
|
3 |
Ag |
1282 |
1274 |
0.994 |
188 |
747 |
|
|
4 |
Ag |
826 |
846 |
1.024 |
188 |
748 |
|
|
5 |
Ag |
343 |
350 |
1.021 |
188 |
749 |
|
|
6 |
Au |
892 |
900 |
1.009 |
188 |
750 |
|
|
7 |
Au |
205 |
227 |
1.108 |
188 |
751 |
|
|
8 |
Bg |
742 |
763 |
1.028 |
188 |
752 |
|
|
9 |
Bu |
3180 |
3090 |
0.972 |
188 |
753 |
|
|
10 |
Bu |
1208 |
1200 |
0.993 |
188 |
754 |
|
|
11 |
Bu |
786 |
828 |
1.053 |
188 |
755 |
|
|
12 |
Bu |
234 |
250 |
1.068 |
188 |
756 |
CHClCCl2 |
Trichloroethylene |
1 |
A' |
3192 |
3082 |
0.966 |
189 |
757 |
|
|
2 |
A' |
1595 |
1586 |
0.995 |
189 |
758 |
|
|
3 |
A' |
1251 |
1247 |
0.996 |
189 |
759 |
|
|
4 |
A' |
884 |
931 |
1.053 |
189 |
760 |
|
|
5 |
A' |
805 |
840 |
1.044 |
189 |
761 |
|
|
6 |
A' |
611 |
630 |
1.031 |
189 |
762 |
|
|
7 |
A' |
377 |
384 |
1.019 |
189 |
763 |
|
|
8 |
A' |
276 |
277 |
1.002 |
189 |
764 |
|
|
9 |
A' |
171 |
178 |
1.042 |
189 |
765 |
|
|
10 |
A" |
756 |
780 |
1.032 |
189 |
766 |
|
|
11 |
A" |
450 |
451 |
1.001 |
189 |
767 |
|
|
12 |
A" |
196 |
215 |
1.100 |
189 |
768 |
B2Cl4 |
Diboron tetrachloride |
1 |
A1 |
1106 |
1122 |
1.015 |
190 |
769 |
|
|
2 |
A1 |
392 |
401 |
1.023 |
190 |
770 |
|
|
3 |
A1 |
171 |
176 |
1.028 |
190 |
771 |
|
|
5 |
B2 |
702 |
728 |
1.037 |
190 |
772 |
|
|
6 |
B2 |
288 |
289 |
1.004 |
190 |
773 |
|
|
7 |
E |
870 |
917 |
1.054 |
190 |
774 |
|
|
8 |
E |
480 |
512 |
1.067 |
190 |
775 |
|
|
9 |
E |
96 |
104 |
1.083 |
190 |
776 |
C2Cl4 |
Tetrachloroethylene |
1 |
Ag |
1567 |
1571 |
1.002 |
191 |
777 |
|
|
2 |
Ag |
437 |
447 |
1.024 |
191 |
778 |
|
|
3 |
Ag |
239 |
237 |
0.993 |
191 |
779 |
|
|
4 |
Au |
90 |
110 |
1.224 |
191 |
780 |
|
|
5 |
B1u |
750 |
777 |
1.036 |
191 |
781 |
|
|
6 |
B1u |
314 |
310 |
0.987 |
191 |
782 |
|
|
7 |
B2g |
496 |
512 |
1.032 |
191 |
783 |
|
|
8 |
B2u |
852 |
908 |
1.066 |
191 |
784 |
|
|
9 |
B2u |
176 |
176 |
1.002 |
191 |
785 |
|
|
10 |
B3g |
933 |
1000 |
1.072 |
191 |
786 |
|
|
11 |
B3g |
336 |
347 |
1.032 |
191 |
787 |
|
|
12 |
B3u |
284 |
288 |
1.013 |
191 |
788 |
PCl5 |
Phosphorus pentachloride |
1 |
A1' |
351 |
394 |
1.124 |
192 |
789 |
|
|
2 |
A1' |
249 |
264 |
1.059 |
192 |
790 |
|
|
3 |
A2" |
389 |
465 |
1.194 |
192 |
791 |
|
|
4 |
A2" |
285 |
299 |
1.048 |
192 |
792 |
|
|
5 |
E' |
518 |
592 |
1.144 |
192 |
793 |
|
|
6 |
E' |
252 |
273 |
1.082 |
192 |
794 |
|
|
7 |
E' |
81 |
100 |
1.234 |
192 |
795 |
|
|
8 |
E" |
246 |
282 |
1.146 |
192 |
796 |
CH3CCH |
propyne |
1 |
A1 |
3438 |
3334 |
0.970 |
193 |
797 |
|
|
2 |
A1 |
2983 |
2918 |
0.978 |
193 |
798 |
|
|
3 |
A1 |
2173 |
2124 |
0.977 |
193 |
799 |
|
|
4 |
A1 |
1388 |
1382 |
0.995 |
193 |
800 |
|
|
5 |
A1 |
930 |
931 |
1.001 |
193 |
801 |
|
|
6 |
E |
3052 |
3008 |
0.985 |
193 |
802 |
|
|
7 |
E |
1454 |
1452 |
0.999 |
193 |
803 |
|
|
8 |
E |
1033 |
1053 |
1.019 |
193 |
804 |
|
|
9 |
E |
580 |
633 |
1.091 |
193 |
805 |
|
|
10 |
E |
326 |
328 |
1.005 |
193 |
806 |
CH2CCH2 |
allene |
1 |
A1 |
3089 |
3015 |
0.976 |
194 |
807 |
|
|
2 |
A1 |
1453 |
1443 |
0.993 |
194 |
808 |
|
|
3 |
A1 |
1088 |
1073 |
0.986 |
194 |
809 |
|
|
4 |
B1 |
861 |
865 |
1.005 |
194 |
810 |
|
|
5 |
B2 |
3085 |
3007 |
0.975 |
194 |
811 |
|
|
6 |
B2 |
2005 |
1957 |
0.976 |
194 |
812 |
|
|
7 |
B2 |
1400 |
1398 |
0.999 |
194 |
813 |
|
|
8 |
E |
3162 |
3086 |
0.976 |
194 |
814 |
|
|
9 |
E |
995 |
999 |
1.004 |
194 |
815 |
|
|
10 |
E |
824 |
841 |
1.020 |
194 |
816 |
|
|
11 |
E |
360 |
355 |
0.987 |
194 |
817 |
C3H4 |
cyclopropene |
1 |
A1 |
3252 |
3158 |
0.971 |
195 |
818 |
|
|
2 |
A1 |
2988 |
2909 |
0.974 |
195 |
819 |
|
|
3 |
A1 |
1703 |
1653 |
0.970 |
195 |
820 |
|
|
4 |
A1 |
1503 |
1483 |
0.987 |
195 |
821 |
|
|
5 |
A1 |
1140 |
1110 |
0.974 |
195 |
822 |
|
|
6 |
A1 |
903 |
905 |
1.002 |
195 |
823 |
|
|
7 |
A2 |
997 |
996 |
0.999 |
195 |
824 |
|
|
8 |
A2 |
811 |
820 |
1.011 |
195 |
825 |
|
|
9 |
B1 |
3050 |
2995 |
0.982 |
195 |
826 |
|
|
10 |
B1 |
1096 |
1088 |
0.992 |
195 |
827 |
|
|
11 |
B1 |
566 |
569 |
1.006 |
195 |
828 |
|
|
12 |
B2 |
3208 |
3124 |
0.974 |
195 |
829 |
|
|
13 |
B2 |
1049 |
1043 |
0.994 |
195 |
830 |
|
|
14 |
B2 |
998 |
1011 |
1.013 |
195 |
831 |
|
|
15 |
B2 |
788 |
769 |
0.976 |
195 |
832 |
CH3NH2 |
methyl amine |
1 |
A' |
3446 |
3361 |
0.975 |
196 |
833 |
|
|
2 |
A' |
3020 |
2961 |
0.980 |
196 |
834 |
|
|
3 |
A' |
2908 |
2820 |
0.970 |
196 |
835 |
|
|
4 |
A' |
1648 |
1623 |
0.985 |
196 |
836 |
|
|
5 |
A' |
1474 |
1473 |
0.999 |
196 |
837 |
|
|
6 |
A' |
1435 |
1430 |
0.997 |
196 |
838 |
|
|
7 |
A' |
1148 |
1130 |
0.985 |
196 |
839 |
|
|
8 |
A' |
1035 |
1044 |
1.009 |
196 |
840 |
|
|
9 |
A' |
817 |
780 |
0.954 |
196 |
841 |
|
|
10 |
A" |
3540 |
3427 |
0.968 |
196 |
842 |
|
|
11 |
A" |
3064 |
2985 |
0.974 |
196 |
843 |
|
|
12 |
A" |
1494 |
1485 |
0.994 |
196 |
844 |
|
|
13 |
A" |
1322 |
1335 |
1.010 |
196 |
845 |
|
|
14 |
A" |
961 |
|
|
196 |
846 |
|
|
15 |
A" |
312 |
268 |
0.859 |
196 |
847 |
C3H3N |
acrylonitrile |
1 |
A' |
3218 |
3125 |
0.971 |
197 |
848 |
|
|
2 |
A' |
3133 |
3078 |
0.983 |
197 |
849 |
|
|
3 |
A' |
3120 |
3042 |
0.975 |
197 |
850 |
|
|
4 |
A' |
2253 |
2239 |
0.994 |
197 |
851 |
|
|
5 |
A' |
1634 |
1615 |
0.988 |
197 |
852 |
|
|
6 |
A' |
1418 |
1416 |
0.999 |
197 |
853 |
|
|
7 |
A' |
1291 |
1282 |
0.993 |
197 |
854 |
|
|
8 |
A' |
1087 |
1096 |
1.008 |
197 |
855 |
|
|
9 |
A' |
870 |
869 |
0.999 |
197 |
856 |
|
|
10 |
A' |
561 |
570 |
1.016 |
197 |
857 |
|
|
11 |
A' |
226 |
242 |
1.069 |
197 |
858 |
|
|
12 |
A" |
971 |
972 |
1.001 |
197 |
859 |
|
|
13 |
A" |
941 |
954 |
1.013 |
197 |
860 |
|
|
14 |
A" |
686 |
683 |
0.995 |
197 |
861 |
|
|
15 |
A" |
335 |
362 |
1.081 |
197 |
862 |
C3H2N2 |
Malononitrile |
1 |
A1 |
3000 |
2935 |
0.978 |
198 |
863 |
|
|
2 |
A1 |
2301 |
2275 |
0.989 |
198 |
864 |
|
|
3 |
A1 |
1417 |
1395 |
0.985 |
198 |
865 |
|
|
4 |
A1 |
878 |
890 |
1.013 |
198 |
866 |
|
|
5 |
A1 |
562 |
582 |
1.035 |
198 |
867 |
|
|
6 |
A1 |
138 |
167 |
1.212 |
198 |
868 |
|
|
7 |
A2 |
1214 |
1220 |
1.005 |
198 |
869 |
|
|
8 |
A2 |
353 |
367 |
1.040 |
198 |
870 |
|
|
9 |
B1 |
3043 |
2968 |
0.975 |
198 |
871 |
|
|
10 |
B1 |
911 |
933 |
1.024 |
198 |
872 |
|
|
11 |
B1 |
322 |
337 |
1.048 |
198 |
873 |
|
|
12 |
B2 |
2295 |
2275 |
0.991 |
198 |
874 |
|
|
13 |
B2 |
1306 |
1318 |
1.009 |
198 |
875 |
|
|
14 |
B2 |
962 |
982 |
1.021 |
198 |
876 |
|
|
15 |
B2 |
351 |
366 |
1.044 |
198 |
877 |
CH2N4 |
1H-Tetrazole |
1 |
A' |
3596 |
3447 |
0.959 |
199 |
878 |
|
|
2 |
A' |
3251 |
3102 |
0.954 |
199 |
879 |
|
|
3 |
A' |
1458 |
1441 |
0.988 |
199 |
880 |
|
|
4 |
A' |
1413 |
1384 |
0.979 |
199 |
881 |
|
|
5 |
A' |
1239 |
1259 |
1.016 |
199 |
882 |
|
|
6 |
A' |
1220 |
1159 |
0.950 |
199 |
883 |
|
|
7 |
A' |
1117 |
1084 |
0.970 |
199 |
884 |
|
|
8 |
A' |
1028 |
1015 |
0.988 |
199 |
885 |
|
|
9 |
A' |
1000 |
1002 |
1.002 |
199 |
886 |
|
|
10 |
A' |
975 |
969 |
0.993 |
199 |
887 |
|
|
11 |
A' |
925 |
925 |
1.000 |
199 |
888 |
|
|
12 |
A" |
809 |
906 |
1.119 |
199 |
889 |
|
|
13 |
A" |
714 |
663 |
0.929 |
199 |
890 |
|
|
14 |
A" |
669 |
658 |
0.984 |
199 |
891 |
|
|
15 |
A" |
550 |
578 |
1.051 |
199 |
892 |
CH3PH2 |
Methyl phosphine |
1 |
A' |
3097 |
3000 |
0.969 |
200 |
893 |
|
|
2 |
A' |
3001 |
2938 |
0.979 |
200 |
894 |
|
|
3 |
A' |
2324 |
2297 |
0.988 |
200 |
895 |
|
|
4 |
A' |
1453 |
1450 |
0.998 |
200 |
896 |
|
|
5 |
A' |
1310 |
1238 |
0.945 |
200 |
897 |
|
|
6 |
A' |
1100 |
1086 |
0.987 |
200 |
898 |
|
|
7 |
A' |
979 |
977 |
0.998 |
200 |
899 |
|
|
8 |
A' |
732 |
740 |
1.011 |
200 |
900 |
|
|
9 |
A' |
647 |
677 |
1.047 |
200 |
901 |
|
|
10 |
A" |
3089 |
2992 |
0.969 |
200 |
902 |
|
|
11 |
A" |
2336 |
2312 |
0.990 |
200 |
903 |
|
|
12 |
A" |
1457 |
1450 |
0.995 |
200 |
904 |
|
|
13 |
A" |
1020 |
1017 |
0.997 |
200 |
905 |
|
|
15 |
A" |
225 |
207 |
0.921 |
200 |
906 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3111 |
3014 |
0.969 |
201 |
907 |
|
|
2 |
A' |
2980 |
2923 |
0.981 |
201 |
908 |
|
|
3 |
A' |
2818 |
2716 |
0.964 |
201 |
909 |
|
|
4 |
A' |
1759 |
1743 |
0.991 |
201 |
910 |
|
|
5 |
A' |
1436 |
1433 |
0.998 |
201 |
911 |
|
|
6 |
A' |
1394 |
1395 |
1.001 |
201 |
912 |
|
|
7 |
A' |
1348 |
1352 |
1.003 |
201 |
913 |
|
|
8 |
A' |
1104 |
1114 |
1.009 |
201 |
914 |
|
|
9 |
A' |
866 |
867 |
1.001 |
201 |
915 |
|
|
10 |
A' |
499 |
509 |
1.020 |
201 |
916 |
|
|
11 |
A" |
3046 |
2964 |
0.973 |
201 |
917 |
|
|
12 |
A" |
1445 |
1431 |
0.990 |
201 |
918 |
|
|
13 |
A" |
1101 |
1102 |
1.001 |
201 |
919 |
|
|
14 |
A" |
752 |
764 |
1.016 |
201 |
920 |
|
|
15 |
A" |
142 |
150 |
1.054 |
201 |
921 |
C2H4O |
Ethylene oxide |
1 |
A1 |
3045 |
3006 |
0.987 |
202 |
922 |
|
|
2 |
A1 |
1514 |
1467 |
0.969 |
202 |
923 |
|
|
3 |
A1 |
1275 |
1267 |
0.993 |
202 |
924 |
|
|
4 |
A1 |
1121 |
1146 |
1.022 |
202 |
925 |
|
|
5 |
A1 |
882 |
857 |
0.972 |
202 |
926 |
|
|
6 |
A2 |
3120 |
3063 |
0.982 |
202 |
927 |
|
|
7 |
A2 |
1153 |
1050 |
0.910 |
202 |
928 |
|
|
8 |
A2 |
1018 |
1020 |
1.002 |
202 |
929 |
|
|
9 |
B1 |
3136 |
3065 |
0.978 |
202 |
930 |
|
|
10 |
B1 |
1141 |
1146 |
1.004 |
202 |
931 |
|
|
11 |
B1 |
803 |
797 |
0.993 |
202 |
932 |
|
|
12 |
B2 |
3039 |
3006 |
0.989 |
202 |
933 |
|
|
13 |
B2 |
1482 |
1459 |
0.985 |
202 |
934 |
|
|
14 |
B2 |
1122 |
1159 |
1.033 |
202 |
935 |
|
|
15 |
B2 |
825 |
824 |
0.999 |
202 |
936 |
CH3ONO |
Methyl nitrite |
1 |
A' |
3130 |
3037 |
0.970 |
203 |
937 |
|
|
2 |
A' |
2997 |
2950 |
0.984 |
203 |
938 |
|
|
3 |
A' |
1658 |
1613 |
0.973 |
203 |
939 |
|
|
4 |
A' |
1460 |
1454 |
0.996 |
203 |
940 |
|
|
5 |
A' |
1406 |
1408 |
1.001 |
203 |
941 |
|
|
6 |
A' |
1148 |
1239 |
1.079 |
203 |
942 |
|
|
7 |
A' |
947 |
991 |
1.046 |
203 |
943 |
|
|
8 |
A' |
817 |
838 |
1.025 |
203 |
944 |
|
|
9 |
A' |
537 |
627 |
1.168 |
203 |
945 |
|
|
10 |
A' |
323 |
346 |
1.071 |
203 |
946 |
|
|
11 |
A" |
3076 |
2991 |
0.972 |
203 |
947 |
|
|
12 |
A" |
1449 |
1438 |
0.993 |
203 |
948 |
|
|
13 |
A" |
1124 |
1143 |
1.017 |
203 |
949 |
|
|
14 |
A" |
362 |
|
|
203 |
950 |
|
|
15 |
A" |
154 |
186 |
1.208 |
203 |
951 |
C2H4S |
Thiirane |
1 |
A1 |
3075 |
3014 |
0.980 |
204 |
952 |
|
|
2 |
A1 |
1477 |
1457 |
0.986 |
204 |
953 |
|
|
5 |
A1 |
618 |
627 |
1.014 |
204 |
954 |
|
|
11 |
B1 |
824 |
824 |
1.001 |
204 |
955 |
|
|
12 |
B2 |
3075 |
3013 |
0.980 |
204 |
956 |
|
|
14 |
B2 |
1049 |
1051 |
1.001 |
204 |
957 |
H2SO4 |
Sulfuric acid |
1 |
A |
3679 |
3563 |
0.968 |
205 |
958 |
|
|
2 |
A |
1133 |
1216 |
1.073 |
205 |
959 |
|
|
3 |
A |
1118 |
1136 |
1.016 |
205 |
960 |
|
|
4 |
A |
712 |
831 |
1.167 |
205 |
961 |
|
|
5 |
A |
481 |
548 |
1.139 |
205 |
962 |
|
|
6 |
A |
401 |
422 |
1.050 |
205 |
963 |
|
|
7 |
A |
337 |
379 |
1.122 |
205 |
964 |
|
|
8 |
A |
241 |
224 |
0.930 |
205 |
965 |
|
|
9 |
B |
3676 |
3567 |
0.970 |
205 |
966 |
|
|
10 |
B |
1379 |
1452 |
1.053 |
205 |
967 |
|
|
11 |
B |
1128 |
1157 |
1.026 |
205 |
968 |
|
|
12 |
B |
770 |
882 |
1.145 |
205 |
969 |
|
|
13 |
B |
487 |
558 |
1.147 |
205 |
970 |
|
|
14 |
B |
442 |
506 |
1.146 |
205 |
971 |
|
|
15 |
B |
306 |
288 |
0.939 |
205 |
972 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3135 |
3043 |
0.971 |
206 |
973 |
|
|
2 |
A' |
3015 |
2955 |
0.980 |
206 |
974 |
|
|
3 |
A' |
1864 |
1870 |
1.003 |
206 |
975 |
|
|
4 |
A' |
1446 |
1440 |
0.996 |
206 |
976 |
|
|
5 |
A' |
1373 |
1378 |
1.004 |
206 |
977 |
|
|
6 |
A' |
1151 |
1188 |
1.032 |
206 |
978 |
|
|
7 |
A' |
976 |
1000 |
1.024 |
206 |
979 |
|
|
8 |
A' |
788 |
826 |
1.048 |
206 |
980 |
|
|
9 |
A' |
570 |
598 |
1.049 |
206 |
981 |
|
|
10 |
A' |
404 |
420 |
1.039 |
206 |
982 |
|
|
11 |
A" |
3088 |
3004 |
0.973 |
206 |
983 |
|
|
12 |
A" |
1451 |
1437 |
0.990 |
206 |
984 |
|
|
13 |
A" |
1040 |
1054 |
1.013 |
206 |
985 |
|
|
14 |
A" |
548 |
567 |
1.034 |
206 |
986 |
|
|
15 |
A" |
119 |
123 |
1.033 |
206 |
987 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
668 |
774 |
1.157 |
207 |
988 |
|
|
2 |
Eg |
576 |
642 |
1.114 |
207 |
989 |
|
|
3 |
T1u |
865 |
948 |
1.095 |
207 |
990 |
|
|
4 |
T1u |
533 |
616 |
1.154 |
207 |
991 |
|
|
5 |
T2g |
454 |
525 |
1.156 |
207 |
992 |
|
|
6 |
T2u |
300 |
347 |
1.158 |
207 |
993 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3123 |
3027 |
0.969 |
208 |
994 |
|
|
2 |
A' |
3012 |
2948 |
0.979 |
208 |
995 |
|
|
3 |
A' |
1844 |
1818 |
0.986 |
208 |
996 |
|
|
4 |
A' |
1441 |
1415 |
0.982 |
208 |
997 |
|
|
5 |
A' |
1362 |
1368 |
1.004 |
208 |
998 |
|
|
6 |
A' |
1087 |
1108 |
1.019 |
208 |
999 |
|
|
7 |
A' |
936 |
956 |
1.021 |
208 |
1000 |
|
|
8 |
A' |
580 |
604 |
1.041 |
208 |
1001 |
|
|
9 |
A' |
408 |
445 |
1.091 |
208 |
1002 |
|
|
10 |
A' |
339 |
348 |
1.027 |
208 |
1003 |
|
|
11 |
A" |
3093 |
2990 |
0.967 |
208 |
1004 |
|
|
12 |
A" |
1443 |
1431 |
0.992 |
208 |
1005 |
|
|
13 |
A" |
1020 |
1032 |
1.011 |
208 |
1006 |
|
|
14 |
A" |
502 |
518 |
1.032 |
208 |
1007 |
|
|
15 |
A" |
118 |
166 |
1.408 |
208 |
1008 |
B2H6 |
Diborane |
1 |
Ag |
2575 |
2530 |
0.983 |
209 |
1009 |
|
|
2 |
Ag |
2140 |
2088 |
0.976 |
209 |
1010 |
|
|
3 |
Ag |
1172 |
1183 |
1.010 |
209 |
1011 |
|
|
4 |
Ag |
775 |
790 |
1.019 |
209 |
1012 |
|
|
5 |
Au |
826 |
833 |
1.008 |
209 |
1013 |
|
|
6 |
B1g |
2648 |
2596 |
0.980 |
209 |
1014 |
|
|
7 |
B1g |
920 |
915 |
0.995 |
209 |
1015 |
|
|
8 |
B1u |
1989 |
1930 |
0.970 |
209 |
1016 |
|
|
9 |
B1u |
971 |
973 |
1.001 |
209 |
1017 |
|
|
10 |
B2g |
1828 |
1760 |
0.963 |
209 |
1018 |
|
|
11 |
B2g |
872 |
860 |
0.987 |
209 |
1019 |
|
|
12 |
B2u |
2663 |
2609 |
0.979 |
209 |
1020 |
|
|
13 |
B2u |
918 |
949 |
1.033 |
209 |
1021 |
|
|
14 |
B2u |
334 |
369 |
1.102 |
209 |
1022 |
|
|
15 |
B3g |
989 |
1020 |
1.031 |
209 |
1023 |
|
|
16 |
B3u |
2561 |
2520 |
0.984 |
209 |
1024 |
|
|
17 |
B3u |
1668 |
1603 |
0.961 |
209 |
1025 |
|
|
18 |
B3u |
1166 |
1172 |
1.005 |
209 |
1026 |
C2H6 |
Ethane |
1 |
A1g |
2985 |
2954 |
0.990 |
210 |
1027 |
|
|
2 |
A1g |
1401 |
1388 |
0.990 |
210 |
1028 |
|
|
3 |
A1g |
981 |
995 |
1.014 |
210 |
1029 |
|
|
4 |
A1u |
307 |
289 |
0.942 |
210 |
1030 |
|
|
5 |
A2u |
2985 |
2896 |
0.970 |
210 |
1031 |
|
|
6 |
A2u |
1381 |
1379 |
0.999 |
210 |
1032 |
|
|
7 |
Eg |
3044 |
2969 |
0.976 |
210 |
1033 |
|
|
8 |
Eg |
1482 |
1468 |
0.991 |
210 |
1034 |
|
|
9 |
Eg |
1196 |
1190 |
0.995 |
210 |
1035 |
|
|
10 |
Eu |
3068 |
2985 |
0.973 |
210 |
1036 |
|
|
11 |
Eu |
1483 |
1469 |
0.991 |
210 |
1037 |
|
|
12 |
Eu |
813 |
822 |
1.011 |
210 |
1038 |
C3H5 |
Allyl radical |
1 |
A1 |
3205 |
3114 |
0.972 |
211 |
1039 |
|
|
2 |
A1 |
3107 |
3048 |
0.981 |
211 |
1040 |
|
|
4 |
A1 |
1495 |
1488 |
0.996 |
211 |
1041 |
|
|
5 |
A1 |
1248 |
1245 |
0.998 |
211 |
1042 |
|
|
6 |
A1 |
1019 |
1066 |
1.046 |
211 |
1043 |
|
|
7 |
A1 |
421 |
427 |
1.015 |
211 |
1044 |
|
|
9 |
A2 |
531 |
549 |
1.034 |
211 |
1045 |
|
|
10 |
B1 |
980 |
968 |
0.988 |
211 |
1046 |
|
|
11 |
B1 |
779 |
802 |
1.029 |
211 |
1047 |
|
|
12 |
B1 |
514 |
518 |
1.008 |
211 |
1048 |
|
|
13 |
B2 |
3203 |
3105 |
0.970 |
211 |
1049 |
|
|
14 |
B2 |
3102 |
3016 |
0.972 |
211 |
1050 |
|
|
15 |
B2 |
1501 |
1463 |
0.975 |
211 |
1051 |
|
|
16 |
B2 |
1398 |
1389 |
0.994 |
211 |
1052 |
|
|
17 |
B2 |
1210 |
1182 |
0.977 |
211 |
1053 |
CH3SiH3 |
methyl silane |
1 |
A1 |
2993 |
2898 |
0.968 |
212 |
1054 |
|
|
2 |
A1 |
2180 |
2166 |
0.994 |
212 |
1055 |
|
|
3 |
A1 |
1276 |
1260 |
0.987 |
212 |
1056 |
|
|
4 |
A1 |
926 |
940 |
1.015 |
212 |
1057 |
|
|
5 |
A1 |
668 |
700 |
1.048 |
212 |
1058 |
|
|
6 |
A2 |
180 |
187 |
1.036 |
212 |
1059 |
|
|
7 |
E |
3080 |
2982 |
0.968 |
212 |
1060 |
|
|
8 |
E |
2185 |
2169 |
0.993 |
212 |
1061 |
|
|
9 |
E |
1445 |
1403 |
0.971 |
212 |
1062 |
|
|
10 |
E |
943 |
980 |
1.039 |
212 |
1063 |
|
|
11 |
E |
878 |
868 |
0.989 |
212 |
1064 |
|
|
12 |
E |
513 |
540 |
1.052 |
212 |
1065 |
Si2H6 |
disilane |
1 |
A1g |
2177 |
2152 |
0.988 |
213 |
1066 |
|
|
2 |
A1g |
907 |
909 |
1.002 |
213 |
1067 |
|
|
3 |
A1g |
424 |
434 |
1.025 |
213 |
1068 |
|
|
4 |
A1u |
142 |
131 |
0.920 |
213 |
1069 |
|
|
5 |
A2u |
2168 |
2154 |
0.994 |
213 |
1070 |
|
|
6 |
A2u |
837 |
844 |
1.007 |
213 |
1071 |
|
|
7 |
Eg |
2182 |
2155 |
0.988 |
213 |
1072 |
|
|
8 |
Eg |
926 |
929 |
1.003 |
213 |
1073 |
|
|
9 |
Eg |
626 |
625 |
0.998 |
213 |
1074 |
|
|
10 |
Eu |
2192 |
2179 |
0.994 |
213 |
1075 |
|
|
11 |
Eu |
940 |
940 |
1.000 |
213 |
1076 |
|
|
12 |
Eu |
379 |
379 |
1.001 |
213 |
1077 |
C2H5N |
Aziridine |
1 |
A' |
3433 |
3338 |
0.972 |
214 |
1078 |
|
|
2 |
A' |
3154 |
3079 |
0.976 |
214 |
1079 |
|
|
3 |
A' |
3063 |
3015 |
0.984 |
214 |
1080 |
|
|
4 |
A' |
1501 |
1482 |
0.987 |
214 |
1081 |
|
|
5 |
A' |
1268 |
1237 |
0.976 |
214 |
1082 |
|
|
6 |
A' |
1212 |
1211 |
0.999 |
214 |
1083 |
|
|
7 |
A' |
1086 |
1090 |
1.004 |
214 |
1084 |
|
|
8 |
A' |
986 |
998 |
1.012 |
214 |
1085 |
|
|
9 |
A' |
860 |
856 |
0.995 |
214 |
1086 |
|
|
10 |
A' |
752 |
773 |
1.028 |
214 |
1087 |
|
|
11 |
A" |
3141 |
3079 |
0.980 |
214 |
1088 |
|
|
12 |
A" |
3059 |
3015 |
0.986 |
214 |
1089 |
|
|
13 |
A" |
1474 |
1463 |
0.992 |
214 |
1090 |
|
|
14 |
A" |
1244 |
1268 |
1.019 |
214 |
1091 |
|
|
15 |
A" |
1125 |
1131 |
1.005 |
214 |
1092 |
|
|
16 |
A" |
1078 |
1095 |
1.016 |
214 |
1093 |
|
|
17 |
A" |
899 |
904 |
1.005 |
214 |
1094 |
|
|
18 |
A" |
844 |
817 |
0.968 |
214 |
1095 |
CH3COOH |
Acetic acid |
1 |
A' |
3673 |
3583 |
0.976 |
215 |
1096 |
|
|
2 |
A' |
3136 |
3051 |
0.973 |
215 |
1097 |
|
|
3 |
A' |
3013 |
2944 |
0.977 |
215 |
1098 |
|
|
4 |
A' |
1771 |
1788 |
1.009 |
215 |
1099 |
|
|
5 |
A' |
1449 |
1430 |
0.987 |
215 |
1100 |
|
|
6 |
A' |
1377 |
1382 |
1.003 |
215 |
1101 |
|
|
7 |
A' |
1301 |
1264 |
0.972 |
215 |
1102 |
|
|
8 |
A' |
1170 |
1182 |
1.010 |
215 |
1103 |
|
|
9 |
A' |
973 |
989 |
1.016 |
215 |
1104 |
|
|
10 |
A' |
837 |
847 |
1.012 |
215 |
1105 |
|
|
11 |
A' |
565 |
657 |
1.163 |
215 |
1106 |
|
|
12 |
A' |
415 |
|
|
215 |
1107 |
|
|
13 |
A" |
3083 |
2996 |
0.972 |
215 |
1108 |
|
|
14 |
A" |
1454 |
1430 |
0.983 |
215 |
1109 |
|
|
15 |
A" |
1039 |
1048 |
1.009 |
215 |
1110 |
|
|
16 |
A" |
657 |
642 |
0.977 |
215 |
1111 |
|
|
17 |
A" |
532 |
534 |
1.003 |
215 |
1112 |
|
|
18 |
A" |
46 |
93 |
2.032 |
215 |
1113 |
CH3OCHO |
methyl formate |
1 |
A' |
3136 |
3045 |
0.971 |
216 |
1114 |
|
|
2 |
A' |
3016 |
2969 |
0.984 |
216 |
1115 |
|
|
3 |
A' |
3010 |
2943 |
0.978 |
216 |
1116 |
|
|
4 |
A' |
1748 |
1754 |
1.004 |
216 |
1117 |
|
|
5 |
A' |
1470 |
1454 |
0.989 |
216 |
1118 |
|
|
6 |
A' |
1435 |
1445 |
1.007 |
216 |
1119 |
|
|
7 |
A' |
1365 |
1371 |
1.004 |
216 |
1120 |
|
|
8 |
A' |
1191 |
1207 |
1.014 |
216 |
1121 |
|
|
9 |
A' |
1141 |
1166 |
1.022 |
216 |
1122 |
|
|
10 |
A' |
894 |
925 |
1.035 |
216 |
1123 |
|
|
11 |
A' |
749 |
767 |
1.024 |
216 |
1124 |
|
|
12 |
A' |
289 |
318 |
1.101 |
216 |
1125 |
|
|
13 |
A" |
3101 |
3012 |
0.971 |
216 |
1126 |
|
|
14 |
A" |
1460 |
1443 |
0.988 |
216 |
1127 |
|
|
15 |
A" |
1145 |
1168 |
1.020 |
216 |
1128 |
|
|
16 |
A" |
992 |
1032 |
1.040 |
216 |
1129 |
|
|
17 |
A" |
344 |
332 |
0.964 |
216 |
1130 |
|
|
18 |
A" |
113 |
130 |
1.146 |
216 |
1131 |
C3H3NO |
Isoxazole |
1 |
A' |
3249 |
3160 |
0.973 |
217 |
1132 |
|
|
2 |
A' |
3227 |
3128 |
0.969 |
217 |
1133 |
|
|
3 |
A' |
3204 |
3086 |
0.963 |
217 |
1134 |
|
|
4 |
A' |
1554 |
1561 |
1.005 |
217 |
1135 |
|
|
5 |
A' |
1430 |
1433 |
1.002 |
217 |
1136 |
|
|
6 |
A' |
1364 |
1371 |
1.005 |
217 |
1137 |
|
|
7 |
A' |
1213 |
1218 |
1.004 |
217 |
1138 |
|
|
8 |
A' |
1120 |
1130 |
1.009 |
217 |
1139 |
|
|
9 |
A' |
1097 |
1096 |
0.999 |
217 |
1140 |
|
|
10 |
A' |
1024 |
1024 |
1.000 |
217 |
1141 |
|
|
11 |
A' |
912 |
920 |
1.008 |
217 |
1142 |
|
|
12 |
A' |
895 |
900 |
1.006 |
217 |
1143 |
|
|
13 |
A' |
814 |
857 |
1.053 |
217 |
1144 |
|
|
14 |
A" |
866 |
890 |
1.027 |
217 |
1145 |
|
|
15 |
A" |
820 |
866 |
1.056 |
217 |
1146 |
|
|
16 |
A" |
750 |
765 |
1.020 |
217 |
1147 |
|
|
17 |
A" |
624 |
631 |
1.010 |
217 |
1148 |
|
|
18 |
A" |
586 |
592 |
1.010 |
217 |
1149 |
C3H3NO |
Oxazole |
1 |
A' |
3262 |
3170 |
0.972 |
218 |
1150 |
|
|
2 |
A' |
3244 |
3144 |
0.969 |
218 |
1151 |
|
|
3 |
A' |
3222 |
3141 |
0.975 |
218 |
1152 |
|
|
4 |
A' |
1531 |
1537 |
1.004 |
218 |
1153 |
|
|
5 |
A' |
1489 |
1504 |
1.010 |
218 |
1154 |
|
|
6 |
A' |
1324 |
1324 |
1.000 |
218 |
1155 |
|
|
7 |
A' |
1243 |
1252 |
1.007 |
218 |
1156 |
|
|
8 |
A' |
1131 |
1139 |
1.007 |
218 |
1157 |
|
|
9 |
A' |
1106 |
1086 |
0.982 |
218 |
1158 |
|
|
10 |
A' |
1055 |
1078 |
1.022 |
218 |
1159 |
|
|
11 |
A' |
1046 |
1046 |
1.000 |
218 |
1160 |
|
|
12 |
A' |
898 |
899 |
1.001 |
218 |
1161 |
|
|
13 |
A' |
895 |
854 |
0.954 |
218 |
1162 |
|
|
14 |
A" |
829 |
907 |
1.094 |
218 |
1163 |
|
|
15 |
A" |
784 |
830 |
1.058 |
218 |
1164 |
|
|
16 |
A" |
715 |
750 |
1.049 |
218 |
1165 |
|
|
17 |
A" |
645 |
647 |
1.003 |
218 |
1166 |
|
|
18 |
A" |
604 |
607 |
1.005 |
218 |
1167 |
CH3NO3 |
Methyl nitrate |
1 |
A' |
3118 |
3008 |
0.965 |
219 |
1168 |
|
|
2 |
A' |
3005 |
2941 |
0.979 |
219 |
1169 |
|
|
3 |
A' |
1706 |
1678 |
0.984 |
219 |
1170 |
|
|
4 |
A' |
1472 |
1468 |
0.997 |
219 |
1171 |
|
|
5 |
A' |
1427 |
1430 |
1.002 |
219 |
1172 |
|
|
6 |
A' |
1294 |
1287 |
0.994 |
219 |
1173 |
|
|
7 |
A' |
1156 |
1176 |
1.017 |
219 |
1174 |
|
|
8 |
A' |
973 |
1017 |
1.045 |
219 |
1175 |
|
|
9 |
A' |
802 |
854 |
1.065 |
219 |
1176 |
|
|
10 |
A' |
617 |
657 |
1.065 |
219 |
1177 |
|
|
11 |
A' |
514 |
578 |
1.125 |
219 |
1178 |
|
|
12 |
A' |
320 |
340 |
1.062 |
219 |
1179 |
|
|
13 |
A" |
3097 |
3008 |
0.971 |
219 |
1180 |
|
|
14 |
A" |
1445 |
1455 |
1.007 |
219 |
1181 |
|
|
15 |
A" |
1140 |
1136 |
0.997 |
219 |
1182 |
|
|
16 |
A" |
728 |
758 |
1.042 |
219 |
1183 |
|
|
17 |
A" |
189 |
|
|
219 |
1184 |
|
|
18 |
A" |
134 |
|
|
219 |
1185 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
1 |
A' |
3109 |
3015 |
0.970 |
220 |
1186 |
|
|
2 |
A' |
3036 |
2975 |
0.980 |
220 |
1187 |
|
|
3 |
A' |
3014 |
2964 |
0.984 |
220 |
1188 |
|
|
4 |
A' |
1462 |
1457 |
0.996 |
220 |
1189 |
|
|
5 |
A' |
1401 |
1413 |
1.009 |
220 |
1190 |
|
|
6 |
A' |
1354 |
1357 |
1.002 |
220 |
1191 |
|
|
7 |
A' |
1129 |
1171 |
1.037 |
220 |
1192 |
|
|
8 |
A' |
1094 |
1140 |
1.042 |
220 |
1193 |
|
|
9 |
A' |
844 |
868 |
1.028 |
220 |
1194 |
|
|
10 |
A' |
545 |
569 |
1.045 |
220 |
1195 |
|
|
11 |
A' |
446 |
468 |
1.050 |
220 |
1196 |
|
|
12 |
A" |
3100 |
|
|
220 |
1197 |
|
|
13 |
A" |
1462 |
|
|
220 |
1198 |
|
|
14 |
A" |
1346 |
1362 |
1.012 |
220 |
1199 |
|
|
15 |
A" |
1097 |
1135 |
1.034 |
220 |
1200 |
|
|
16 |
A" |
900 |
942 |
1.046 |
220 |
1201 |
|
|
17 |
A" |
375 |
|
|
220 |
1202 |
|
|
18 |
A" |
232 |
|
|
220 |
1203 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
1 |
A1 |
3030 |
2974 |
0.982 |
221 |
1204 |
|
|
2 |
A1 |
1402 |
1412 |
1.007 |
221 |
1205 |
|
|
3 |
A1 |
1239 |
1278 |
1.032 |
221 |
1206 |
|
|
4 |
A1 |
791 |
828 |
1.047 |
221 |
1207 |
|
|
5 |
A1 |
573 |
606 |
1.057 |
221 |
1208 |
|
|
6 |
A2 |
226 |
225 |
0.994 |
221 |
1209 |
|
|
7 |
E |
3125 |
3042 |
0.974 |
221 |
1210 |
|
|
8 |
E |
1462 |
1450 |
0.992 |
221 |
1211 |
|
|
9 |
E |
1175 |
1230 |
1.047 |
221 |
1212 |
|
|
10 |
E |
932 |
964 |
1.034 |
221 |
1213 |
|
|
11 |
E |
512 |
540 |
1.054 |
221 |
1214 |
|
|
12 |
E |
351 |
365 |
1.040 |
221 |
1215 |
C2F6 |
hexafluoroethane |
1 |
A1g |
1328 |
1420 |
1.069 |
222 |
1216 |
|
|
2 |
A1g |
763 |
809 |
1.060 |
222 |
1217 |
|
|
3 |
A1g |
330 |
349 |
1.058 |
222 |
1218 |
|
|
4 |
A1u |
59 |
68 |
1.146 |
222 |
1219 |
|
|
5 |
A2u |
1058 |
1117 |
1.055 |
222 |
1220 |
|
|
6 |
A2u |
677 |
714 |
1.055 |
222 |
1221 |
|
|
7 |
Eg |
1157 |
1237 |
1.069 |
222 |
1222 |
|
|
8 |
Eg |
582 |
620 |
1.065 |
222 |
1223 |
|
|
9 |
Eg |
358 |
380 |
1.062 |
222 |
1224 |
|
|
10 |
Eu |
1173 |
1251 |
1.066 |
222 |
1225 |
|
|
11 |
Eu |
492 |
523 |
1.062 |
222 |
1226 |
|
|
12 |
Eu |
208 |
216 |
1.039 |
222 |
1227 |
CH3CH2Cl |
Ethyl chloride |
1 |
A' |
3068 |
2967 |
0.967 |
223 |
1228 |
|
|
2 |
A' |
3037 |
2946 |
0.970 |
223 |
1229 |
|
|
3 |
A' |
2990 |
2881 |
0.964 |
223 |
1230 |
|
|
4 |
A' |
1479 |
1463 |
0.989 |
223 |
1231 |
|
|
5 |
A' |
1467 |
1448 |
0.987 |
223 |
1232 |
|
|
6 |
A' |
1390 |
1385 |
0.996 |
223 |
1233 |
|
|
7 |
A' |
1298 |
1289 |
0.993 |
223 |
1234 |
|
|
8 |
A' |
1068 |
1081 |
1.012 |
223 |
1235 |
|
|
9 |
A' |
958 |
974 |
1.016 |
223 |
1236 |
|
|
10 |
A' |
624 |
677 |
1.085 |
223 |
1237 |
|
|
11 |
A' |
327 |
336 |
1.029 |
223 |
1238 |
|
|
12 |
A" |
3108 |
3014 |
0.970 |
223 |
1239 |
|
|
13 |
A" |
3082 |
2986 |
0.969 |
223 |
1240 |
|
|
14 |
A" |
1462 |
1448 |
0.991 |
223 |
1241 |
|
|
15 |
A" |
1251 |
1251 |
1.000 |
223 |
1242 |
|
|
16 |
A" |
1061 |
974 |
0.918 |
223 |
1243 |
|
|
17 |
A" |
779 |
786 |
1.009 |
223 |
1244 |
|
|
18 |
A" |
260 |
251 |
0.964 |
223 |
1245 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1 |
Ag |
3055 |
2957 |
0.968 |
224 |
1246 |
|
|
1 |
A |
3100 |
3005 |
0.969 |
224 |
1247 |
|
|
2 |
A |
3037 |
2957 |
0.974 |
224 |
1248 |
|
|
2 |
Ag |
1468 |
1445 |
0.984 |
224 |
1249 |
|
|
3 |
Ag |
1319 |
1304 |
0.989 |
224 |
1250 |
|
|
3 |
A |
1445 |
1433 |
0.992 |
224 |
1251 |
|
|
4 |
A |
1320 |
1315 |
0.996 |
224 |
1252 |
|
|
4 |
Ag |
1039 |
1052 |
1.013 |
224 |
1253 |
|
|
5 |
Ag |
713 |
754 |
1.057 |
224 |
1254 |
|
|
5 |
A |
1208 |
1207 |
0.999 |
224 |
1255 |
|
|
6 |
A |
1026 |
1027 |
1.001 |
224 |
1256 |
|
|
6 |
Ag |
290 |
300 |
1.036 |
224 |
1257 |
|
|
7 |
Au |
3141 |
3005 |
0.957 |
224 |
1258 |
|
|
7 |
A |
932 |
948 |
1.017 |
224 |
1259 |
|
|
8 |
A |
626 |
669 |
1.069 |
224 |
1260 |
|
|
8 |
Au |
1127 |
1123 |
0.997 |
224 |
1261 |
|
|
9 |
Au |
770 |
773 |
1.004 |
224 |
1262 |
|
|
9 |
A |
256 |
272 |
1.061 |
224 |
1263 |
|
|
10 |
A |
113 |
125 |
1.111 |
224 |
1264 |
|
|
10 |
Au |
117 |
123 |
1.048 |
224 |
1265 |
|
|
11 |
Bg |
3118 |
3005 |
0.964 |
224 |
1266 |
|
|
11 |
B |
3113 |
3005 |
0.965 |
224 |
1267 |
|
|
12 |
B |
3028 |
2957 |
0.976 |
224 |
1268 |
|
|
12 |
Bg |
1274 |
1264 |
0.992 |
224 |
1269 |
|
|
13 |
Bg |
997 |
989 |
0.992 |
224 |
1270 |
|
|
13 |
B |
1440 |
1436 |
0.997 |
224 |
1271 |
|
|
14 |
B |
1296 |
1292 |
0.997 |
224 |
1272 |
|
|
14 |
Bu |
3063 |
2983 |
0.974 |
224 |
1273 |
|
|
15 |
Bu |
1467 |
1461 |
0.996 |
224 |
1274 |
|
|
15 |
B |
1143 |
1146 |
1.003 |
224 |
1275 |
|
|
16 |
B |
877 |
890 |
1.015 |
224 |
1276 |
|
|
16 |
Bu |
1243 |
1232 |
0.991 |
224 |
1277 |
|
|
17 |
Bu |
670 |
728 |
1.087 |
224 |
1278 |
|
|
17 |
B |
647 |
693 |
1.071 |
224 |
1279 |
|
|
18 |
B |
402 |
410 |
1.020 |
224 |
1280 |
|
|
18 |
Bu |
210 |
222 |
1.056 |
224 |
1281 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1 |
A1 |
3019 |
2951 |
0.978 |
225 |
1282 |
|
|
2 |
A1 |
1394 |
1386 |
0.994 |
225 |
1283 |
|
|
3 |
A1 |
1047 |
1075 |
1.026 |
225 |
1284 |
|
|
4 |
A1 |
502 |
526 |
1.048 |
225 |
1285 |
|
|
5 |
A1 |
338 |
344 |
1.018 |
225 |
1286 |
|
|
6 |
A2 |
311 |
214 |
0.688 |
225 |
1287 |
|
|
7 |
E |
3115 |
3014 |
0.968 |
225 |
1288 |
|
|
8 |
E |
1458 |
1457 |
0.999 |
225 |
1289 |
|
|
9 |
E |
1081 |
1088 |
1.007 |
225 |
1290 |
|
|
10 |
E |
636 |
724 |
1.138 |
225 |
1291 |
|
|
11 |
E |
340 |
351 |
1.033 |
225 |
1292 |
|
|
12 |
E |
234 |
239 |
1.022 |
225 |
1293 |
C3H6 |
Cyclopropane |
1 |
A1' |
3093 |
3038 |
0.982 |
226 |
1294 |
|
|
2 |
A1' |
1495 |
1479 |
0.989 |
226 |
1295 |
|
|
3 |
A1' |
1197 |
1188 |
0.993 |
226 |
1296 |
|
|
4 |
A1" |
1126 |
1126 |
1.000 |
226 |
1297 |
|
|
5 |
A2' |
1050 |
1070 |
1.019 |
226 |
1298 |
|
|
6 |
A2" |
3187 |
3103 |
0.974 |
226 |
1299 |
|
|
7 |
A2" |
853 |
854 |
1.002 |
226 |
1300 |
|
|
8 |
E' |
3087 |
3025 |
0.980 |
226 |
1301 |
|
|
9 |
E' |
1450 |
1438 |
0.992 |
226 |
1302 |
|
|
10 |
E' |
1025 |
1029 |
1.004 |
226 |
1303 |
|
|
11 |
E' |
880 |
866 |
0.984 |
226 |
1304 |
|
|
12 |
E" |
3165 |
3082 |
0.974 |
226 |
1305 |
|
|
13 |
E" |
1189 |
1188 |
0.999 |
226 |
1306 |
|
|
14 |
E" |
729 |
739 |
1.013 |
226 |
1307 |
CH2CHCH3 |
Propene |
1 |
A' |
3180 |
3090 |
0.972 |
227 |
1308 |
|
|
2 |
A' |
3095 |
3013 |
0.974 |
227 |
1309 |
|
|
3 |
A' |
3087 |
2991 |
0.969 |
227 |
1310 |
|
|
4 |
A' |
3062 |
2954 |
0.965 |
227 |
1311 |
|
|
5 |
A' |
2972 |
2871 |
0.966 |
227 |
1312 |
|
|
6 |
A' |
1672 |
1650 |
0.987 |
227 |
1313 |
|
|
7 |
A' |
1471 |
1470 |
1.000 |
227 |
1314 |
|
|
8 |
A' |
1422 |
1420 |
0.999 |
227 |
1315 |
|
|
9 |
A' |
1382 |
1378 |
0.997 |
227 |
1316 |
|
|
10 |
A' |
1300 |
1297 |
0.998 |
227 |
1317 |
|
|
11 |
A' |
1167 |
1171 |
1.003 |
227 |
1318 |
|
|
12 |
A' |
930 |
963 |
1.036 |
227 |
1319 |
|
|
13 |
A' |
909 |
920 |
1.012 |
227 |
1320 |
|
|
14 |
A' |
421 |
428 |
1.017 |
227 |
1321 |
|
|
15 |
A" |
3027 |
2954 |
0.976 |
227 |
1322 |
|
|
16 |
A" |
1456 |
1443 |
0.991 |
227 |
1323 |
|
|
17 |
A" |
1042 |
1045 |
1.003 |
227 |
1324 |
|
|
18 |
A" |
996 |
991 |
0.995 |
227 |
1325 |
|
|
19 |
A" |
897 |
912 |
1.017 |
227 |
1326 |
|
|
20 |
A" |
571 |
578 |
1.012 |
227 |
1327 |
|
|
21 |
A" |
198 |
174 |
0.877 |
227 |
1328 |
C3H4N2 |
1H-Pyrazole |
1 |
A' |
3624 |
3523 |
0.972 |
228 |
1329 |
|
|
2 |
A' |
3236 |
3155 |
0.975 |
228 |
1330 |
|
|
3 |
A' |
3217 |
3137 |
0.975 |
228 |
1331 |
|
|
4 |
A' |
3204 |
3126 |
0.976 |
228 |
1332 |
|
|
5 |
A' |
1527 |
1531 |
1.003 |
228 |
1333 |
|
|
6 |
A' |
1448 |
1447 |
0.999 |
228 |
1334 |
|
|
7 |
A' |
1401 |
1395 |
0.995 |
228 |
1335 |
|
|
8 |
A' |
1346 |
1358 |
1.009 |
228 |
1336 |
|
|
9 |
A' |
1250 |
1254 |
1.003 |
228 |
1337 |
|
|
10 |
A' |
1156 |
1159 |
1.002 |
228 |
1338 |
|
|
11 |
A' |
1124 |
1121 |
0.997 |
228 |
1339 |
|
|
12 |
A' |
1038 |
1054 |
1.015 |
228 |
1340 |
|
|
13 |
A' |
1023 |
1009 |
0.986 |
228 |
1341 |
|
|
14 |
A' |
921 |
924 |
1.003 |
228 |
1342 |
|
|
15 |
A' |
907 |
908 |
1.002 |
228 |
1343 |
|
|
16 |
A" |
850 |
879 |
1.034 |
228 |
1344 |
|
|
17 |
A" |
797 |
833 |
1.045 |
228 |
1345 |
|
|
18 |
A" |
717 |
745 |
1.039 |
228 |
1346 |
|
|
19 |
A" |
670 |
674 |
1.006 |
228 |
1347 |
|
|
20 |
A" |
615 |
623 |
1.013 |
228 |
1348 |
|
|
21 |
A" |
498 |
516 |
1.036 |
228 |
1349 |
C3H4N2 |
1H-Imidazole |
1 |
A' |
3603 |
3517 |
0.976 |
229 |
1350 |
|
|
2 |
A' |
3237 |
3143 |
0.971 |
229 |
1351 |
|
|
3 |
A' |
3214 |
3123 |
0.972 |
229 |
1352 |
|
|
4 |
A' |
3208 |
3110 |
0.969 |
229 |
1353 |
|
|
5 |
A' |
1517 |
1448 |
0.954 |
229 |
1354 |
|
|
6 |
A' |
1465 |
1404 |
0.958 |
229 |
1355 |
|
|
7 |
A' |
1400 |
1328 |
0.948 |
229 |
1356 |
|
|
8 |
A' |
1334 |
1265 |
0.948 |
229 |
1357 |
|
|
9 |
A' |
1252 |
1188 |
0.949 |
229 |
1358 |
|
|
10 |
A' |
1149 |
1098 |
0.956 |
229 |
1359 |
|
|
11 |
A' |
1123 |
1062 |
0.946 |
229 |
1360 |
|
|
12 |
A' |
1073 |
1013 |
0.944 |
229 |
1361 |
|
|
13 |
A' |
1053 |
988 |
0.938 |
229 |
1362 |
|
|
14 |
A' |
924 |
923 |
0.999 |
229 |
1363 |
|
|
15 |
A' |
888 |
898 |
1.011 |
229 |
1364 |
|
|
16 |
A" |
822 |
831 |
1.010 |
229 |
1365 |
|
|
17 |
A" |
760 |
758 |
0.997 |
229 |
1366 |
|
|
18 |
A" |
685 |
674 |
0.983 |
229 |
1367 |
|
|
19 |
A" |
661 |
663 |
1.003 |
229 |
1368 |
|
|
20 |
A" |
623 |
621 |
0.997 |
229 |
1369 |
|
|
21 |
A" |
497 |
539 |
1.085 |
229 |
1370 |
C3H3N3 |
1,3,5-Triazine |
1 |
A1' |
3137 |
3042 |
0.970 |
230 |
1371 |
|
|
2 |
A1' |
1142 |
1132 |
0.991 |
230 |
1372 |
|
|
3 |
A1' |
981 |
992 |
1.011 |
230 |
1373 |
|
|
4 |
A2' |
1372 |
1278 |
0.932 |
230 |
1374 |
|
|
5 |
A2' |
1174 |
1068 |
0.910 |
230 |
1375 |
|
|
6 |
A2" |
908 |
925 |
1.019 |
230 |
1376 |
|
|
7 |
A2" |
736 |
737 |
1.001 |
230 |
1377 |
|
|
8 |
E' |
3132 |
3056 |
0.976 |
230 |
1378 |
|
|
9 |
E' |
1546 |
1555 |
1.006 |
230 |
1379 |
|
|
10 |
E' |
1407 |
1410 |
1.002 |
230 |
1380 |
|
|
11 |
E' |
1167 |
1176 |
1.008 |
230 |
1381 |
|
|
12 |
E' |
678 |
657 |
0.969 |
230 |
1382 |
|
|
13 |
E" |
1000 |
830 |
0.830 |
230 |
1383 |
|
|
14 |
E" |
318 |
340 |
1.069 |
230 |
1384 |
CH3CH2OH |
Ethanol |
1 |
A' |
3758 |
3653 |
0.972 |
231 |
1385 |
|
|
2 |
A' |
3074 |
2984 |
0.971 |
231 |
1386 |
|
|
3 |
A' |
2995 |
2939 |
0.981 |
231 |
1387 |
|
|
4 |
A' |
2927 |
2900 |
0.991 |
231 |
1388 |
|
|
5 |
A' |
1500 |
1490 |
0.993 |
231 |
1389 |
|
|
6 |
A' |
1479 |
1464 |
0.990 |
231 |
1390 |
|
|
7 |
A' |
1418 |
1412 |
0.995 |
231 |
1391 |
|
|
8 |
A' |
1375 |
1371 |
0.998 |
231 |
1392 |
|
|
9 |
A' |
1241 |
1256 |
1.013 |
231 |
1393 |
|
|
10 |
A' |
1073 |
1091 |
1.017 |
231 |
1394 |
|
|
11 |
A' |
1007 |
1028 |
1.021 |
231 |
1395 |
|
|
12 |
A' |
876 |
888 |
1.013 |
231 |
1396 |
|
|
13 |
A' |
411 |
417 |
1.013 |
231 |
1397 |
|
|
14 |
A" |
3081 |
2991 |
0.971 |
231 |
1398 |
|
|
15 |
A" |
2958 |
2910 |
0.984 |
231 |
1399 |
|
|
16 |
A" |
1461 |
1446 |
0.990 |
231 |
1400 |
|
|
17 |
A" |
1272 |
1275 |
1.002 |
231 |
1401 |
|
|
18 |
A" |
1154 |
1161 |
1.006 |
231 |
1402 |
|
|
19 |
A" |
807 |
812 |
1.006 |
231 |
1403 |
|
|
20 |
A" |
281 |
251 |
0.894 |
231 |
1404 |
|
|
21 |
A" |
237 |
200 |
0.844 |
231 |
1405 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3083 |
2996 |
0.972 |
232 |
1406 |
|
|
2 |
A1 |
2923 |
2817 |
0.964 |
232 |
1407 |
|
|
3 |
A1 |
1489 |
1464 |
0.983 |
232 |
1408 |
|
|
4 |
A1 |
1460 |
1452 |
0.995 |
232 |
1409 |
|
|
5 |
A1 |
1238 |
1244 |
1.005 |
232 |
1410 |
|
|
6 |
A1 |
911 |
928 |
1.019 |
232 |
1411 |
|
|
7 |
A1 |
409 |
418 |
1.023 |
232 |
1412 |
|
|
8 |
A2 |
2967 |
2952 |
0.995 |
232 |
1413 |
|
|
9 |
A2 |
1455 |
1464 |
1.006 |
232 |
1414 |
|
|
10 |
A2 |
1138 |
1150 |
1.011 |
232 |
1415 |
|
|
11 |
A2 |
212 |
203 |
0.957 |
232 |
1416 |
|
|
12 |
B1 |
2961 |
2925 |
0.988 |
232 |
1417 |
|
|
13 |
B1 |
1465 |
1464 |
0.999 |
232 |
1418 |
|
|
14 |
B1 |
1168 |
1179 |
1.010 |
232 |
1419 |
|
|
15 |
B1 |
252 |
242 |
0.961 |
232 |
1420 |
|
|
16 |
B2 |
3082 |
2996 |
0.972 |
232 |
1421 |
|
|
17 |
B2 |
2909 |
2817 |
0.968 |
232 |
1422 |
|
|
18 |
B2 |
1471 |
1464 |
0.996 |
232 |
1423 |
|
|
19 |
B2 |
1434 |
1452 |
1.013 |
232 |
1424 |
|
|
20 |
B2 |
1159 |
1227 |
1.058 |
232 |
1425 |
|
|
21 |
B2 |
1092 |
1102 |
1.009 |
232 |
1426 |
C4H4O |
Furan |
1 |
A1 |
3253 |
3161 |
0.972 |
233 |
1427 |
|
|
2 |
A1 |
3221 |
3140 |
0.975 |
233 |
1428 |
|
|
3 |
A1 |
1478 |
1491 |
1.009 |
233 |
1429 |
|
|
4 |
A1 |
1388 |
1384 |
0.997 |
233 |
1430 |
|
|
5 |
A1 |
1142 |
1140 |
0.998 |
233 |
1431 |
|
|
6 |
A1 |
1075 |
1066 |
0.991 |
233 |
1432 |
|
|
7 |
A1 |
994 |
995 |
1.001 |
233 |
1433 |
|
|
8 |
A1 |
865 |
871 |
1.006 |
233 |
1434 |
|
|
9 |
A2 |
839 |
838 |
0.999 |
233 |
1435 |
|
|
10 |
A2 |
682 |
728 |
1.068 |
233 |
1436 |
|
|
11 |
A2 |
592 |
603 |
1.018 |
233 |
1437 |
|
|
12 |
B1 |
799 |
863 |
1.080 |
233 |
1438 |
|
|
13 |
B1 |
723 |
745 |
1.030 |
233 |
1439 |
|
|
14 |
B1 |
603 |
613 |
1.016 |
233 |
1440 |
|
|
15 |
B2 |
3247 |
3154 |
0.971 |
233 |
1441 |
|
|
16 |
B2 |
3209 |
3129 |
0.975 |
233 |
1442 |
|
|
17 |
B2 |
1556 |
1556 |
1.000 |
233 |
1443 |
|
|
18 |
B2 |
1256 |
1267 |
1.009 |
233 |
1444 |
|
|
19 |
B2 |
1167 |
1180 |
1.011 |
233 |
1445 |
|
|
20 |
B2 |
1033 |
1040 |
1.007 |
233 |
1446 |
|
|
21 |
B2 |
873 |
873 |
1.000 |
233 |
1447 |
C3H4O2 |
β–Propiolactone |
1 |
A' |
3049 |
3001 |
0.984 |
234 |
1448 |
|
|
2 |
A' |
3042 |
2935 |
0.965 |
234 |
1449 |
|
|
3 |
A' |
1867 |
1882 |
1.008 |
234 |
1450 |
|
|
4 |
A' |
1495 |
1475 |
0.986 |
234 |
1451 |
|
|
5 |
A' |
1433 |
1427 |
0.996 |
234 |
1452 |
|
|
6 |
A' |
1308 |
1319 |
1.008 |
234 |
1453 |
|
|
7 |
A' |
1196 |
1199 |
1.002 |
234 |
1454 |
|
|
8 |
A' |
1067 |
1093 |
1.024 |
234 |
1455 |
|
|
9 |
A' |
992 |
1005 |
1.013 |
234 |
1456 |
|
|
10 |
A' |
894 |
924 |
1.033 |
234 |
1457 |
|
|
11 |
A' |
864 |
891 |
1.031 |
234 |
1458 |
|
|
12 |
A' |
732 |
746 |
1.020 |
234 |
1459 |
|
|
13 |
A' |
473 |
513 |
1.085 |
234 |
1460 |
|
|
14 |
A" |
3117 |
3028 |
0.972 |
234 |
1461 |
|
|
15 |
A" |
3102 |
3000 |
0.967 |
234 |
1462 |
|
|
16 |
A" |
1176 |
1184 |
1.007 |
234 |
1463 |
|
|
17 |
A" |
1125 |
1139 |
1.012 |
234 |
1464 |
|
|
18 |
A" |
1037 |
1046 |
1.009 |
234 |
1465 |
|
|
19 |
A" |
790 |
790 |
1.000 |
234 |
1466 |
|
|
20 |
A" |
500 |
490 |
0.980 |
234 |
1467 |
|
|
21 |
A" |
180 |
113 |
0.628 |
234 |
1468 |
CH3CH2SH |
ethanethiol |
1 |
A' |
3068 |
2966 |
0.967 |
235 |
1469 |
|
|
1 |
A |
3085 |
2980 |
0.966 |
235 |
1470 |
|
|
2 |
A |
3064 |
2967 |
0.968 |
235 |
1471 |
|
|
2 |
A' |
3010 |
2872 |
0.954 |
235 |
1472 |
|
|
3 |
A' |
2992 |
2872 |
0.960 |
235 |
1473 |
|
|
3 |
A |
3053 |
2930 |
0.960 |
235 |
1474 |
|
|
4 |
A |
3014 |
2902 |
0.963 |
235 |
1475 |
|
|
4 |
A' |
2642 |
2580 |
0.977 |
235 |
1476 |
|
|
5 |
A' |
1482 |
1453 |
0.980 |
235 |
1477 |
|
|
5 |
A |
2982 |
2875 |
0.964 |
235 |
1478 |
|
|
6 |
A |
2636 |
2591 |
0.983 |
235 |
1479 |
|
|
6 |
A' |
1466 |
1453 |
0.991 |
235 |
1480 |
|
|
7 |
A' |
1393 |
1385 |
0.994 |
235 |
1481 |
|
|
7 |
A |
1477 |
1462 |
0.990 |
235 |
1482 |
|
|
8 |
A |
1469 |
1452 |
0.988 |
235 |
1483 |
|
|
8 |
A' |
1282 |
1309 |
1.021 |
235 |
1484 |
|
|
9 |
A' |
1094 |
1097 |
1.003 |
235 |
1485 |
|
|
9 |
A |
1457 |
1437 |
0.987 |
235 |
1486 |
|
|
10 |
A |
1389 |
1377 |
0.992 |
235 |
1487 |
|
|
10 |
A' |
975 |
978 |
1.003 |
235 |
1488 |
|
|
11 |
A' |
847 |
870 |
1.027 |
235 |
1489 |
|
|
11 |
A |
1286 |
1269 |
0.987 |
235 |
1490 |
|
|
12 |
A |
1257 |
1246 |
0.991 |
235 |
1491 |
|
|
12 |
A' |
641 |
660 |
1.030 |
235 |
1492 |
|
|
13 |
A' |
300 |
332 |
1.108 |
235 |
1493 |
|
|
13 |
A |
1106 |
1093 |
0.988 |
235 |
1494 |
|
|
14 |
A |
1047 |
1051 |
1.004 |
235 |
1495 |
|
|
14 |
A" |
3082 |
2966 |
0.962 |
235 |
1496 |
|
|
15 |
A" |
3057 |
2930 |
0.958 |
235 |
1497 |
|
|
15 |
A |
963 |
970 |
1.007 |
235 |
1498 |
|
|
16 |
A |
864 |
867 |
1.003 |
235 |
1499 |
|
|
16 |
A" |
1472 |
1453 |
0.987 |
235 |
1500 |
|
|
17 |
A" |
1246 |
1269 |
1.018 |
235 |
1501 |
|
|
17 |
A |
734 |
735 |
1.002 |
235 |
1502 |
|
|
18 |
A |
628 |
658 |
1.048 |
235 |
1503 |
|
|
18 |
A" |
1031 |
1049 |
1.018 |
235 |
1504 |
|
|
19 |
A" |
781 |
745 |
0.953 |
235 |
1505 |
|
|
19 |
A |
325 |
319 |
0.981 |
235 |
1506 |
|
|
20 |
A |
265 |
|
|
235 |
1507 |
|
|
21 |
A |
214 |
|
|
235 |
1508 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3097 |
2997 |
0.968 |
236 |
1509 |
|
|
2 |
A1 |
2984 |
2925 |
0.980 |
236 |
1510 |
|
|
3 |
A1 |
1465 |
1447 |
0.988 |
236 |
1511 |
|
|
4 |
A1 |
1355 |
1337 |
0.987 |
236 |
1512 |
|
|
5 |
A1 |
1041 |
1030 |
0.989 |
236 |
1513 |
|
|
6 |
A1 |
666 |
695 |
1.044 |
236 |
1514 |
|
|
7 |
A1 |
264 |
280 |
1.061 |
236 |
1515 |
|
|
8 |
A2 |
3071 |
2970 |
0.967 |
236 |
1516 |
|
|
9 |
A2 |
1440 |
1427 |
0.991 |
236 |
1517 |
|
|
10 |
A2 |
943 |
946 |
1.004 |
236 |
1518 |
|
|
11 |
A2 |
180 |
175 |
0.975 |
236 |
1519 |
|
|
12 |
B1 |
3063 |
2970 |
0.970 |
236 |
1520 |
|
|
13 |
B1 |
1450 |
1439 |
0.992 |
236 |
1521 |
|
|
14 |
B1 |
980 |
973 |
0.993 |
236 |
1522 |
|
|
15 |
B1 |
186 |
183 |
0.985 |
236 |
1523 |
|
|
16 |
B2 |
3098 |
2999 |
0.968 |
236 |
1524 |
|
|
17 |
B2 |
2987 |
2919 |
0.977 |
236 |
1525 |
|
|
18 |
B2 |
1457 |
1442 |
0.990 |
236 |
1526 |
|
|
19 |
B2 |
1328 |
1315 |
0.990 |
236 |
1527 |
|
|
20 |
B2 |
905 |
903 |
0.997 |
236 |
1528 |
|
|
21 |
B2 |
714 |
742 |
1.040 |
236 |
1529 |
C4H4S |
Thiophene |
1 |
A1 |
3221 |
3126 |
0.971 |
237 |
1530 |
|
|
2 |
A1 |
3179 |
3098 |
0.975 |
237 |
1531 |
|
|
3 |
A1 |
1425 |
1409 |
0.989 |
237 |
1532 |
|
|
4 |
A1 |
1368 |
1360 |
0.994 |
237 |
1533 |
|
|
5 |
A1 |
1086 |
1083 |
0.997 |
237 |
1534 |
|
|
6 |
A1 |
1042 |
1036 |
0.994 |
237 |
1535 |
|
|
7 |
A1 |
822 |
872 |
1.061 |
237 |
1536 |
|
|
8 |
A1 |
605 |
608 |
1.006 |
237 |
1537 |
|
|
9 |
A2 |
873 |
867 |
0.993 |
237 |
1538 |
|
|
10 |
A2 |
648 |
688 |
1.061 |
237 |
1539 |
|
|
11 |
A2 |
555 |
567 |
1.022 |
237 |
1540 |
|
|
12 |
B1 |
833 |
839 |
1.007 |
237 |
1541 |
|
|
13 |
B1 |
697 |
712 |
1.021 |
237 |
1542 |
|
|
14 |
B1 |
443 |
452 |
1.020 |
237 |
1543 |
|
|
15 |
B2 |
3219 |
3125 |
0.971 |
237 |
1544 |
|
|
16 |
B2 |
3165 |
3086 |
0.975 |
237 |
1545 |
|
|
17 |
B2 |
1516 |
1504 |
0.992 |
237 |
1546 |
|
|
18 |
B2 |
1246 |
1256 |
1.008 |
237 |
1547 |
|
|
19 |
B2 |
1087 |
1085 |
0.998 |
237 |
1548 |
|
|
20 |
B2 |
860 |
903 |
1.050 |
237 |
1549 |
|
|
21 |
B2 |
731 |
751 |
1.028 |
237 |
1550 |
CH2CHCHCH2 |
1,3-Butadiene |
1 |
Ag |
3191 |
3087 |
0.968 |
238 |
1551 |
|
|
2 |
Ag |
3100 |
3003 |
0.969 |
238 |
1552 |
|
|
3 |
Ag |
3085 |
2992 |
0.970 |
238 |
1553 |
|
|
4 |
Ag |
1661 |
1630 |
0.981 |
238 |
1554 |
|
|
5 |
Ag |
1449 |
1438 |
0.992 |
238 |
1555 |
|
|
6 |
Ag |
1287 |
1280 |
0.994 |
238 |
1556 |
|
|
7 |
Ag |
1209 |
1196 |
0.989 |
238 |
1557 |
|
|
8 |
Ag |
888 |
894 |
1.007 |
238 |
1558 |
|
|
9 |
Ag |
509 |
512 |
1.007 |
238 |
1559 |
|
|
10 |
Au |
1025 |
1013 |
0.988 |
238 |
1560 |
|
|
11 |
Au |
888 |
908 |
1.022 |
238 |
1561 |
|
|
12 |
Au |
520 |
522 |
1.003 |
238 |
1562 |
|
|
13 |
Au |
173 |
162 |
0.938 |
238 |
1563 |
|
|
14 |
Bg |
961 |
976 |
1.016 |
238 |
1564 |
|
|
15 |
Bg |
891 |
912 |
1.023 |
238 |
1565 |
|
|
16 |
Bg |
753 |
770 |
1.023 |
238 |
1566 |
|
|
17 |
Bu |
3191 |
3101 |
0.972 |
238 |
1567 |
|
|
18 |
Bu |
3100 |
3055 |
0.986 |
238 |
1568 |
|
|
19 |
Bu |
3096 |
2984 |
0.964 |
238 |
1569 |
|
|
20 |
Bu |
1613 |
1596 |
0.990 |
238 |
1570 |
|
|
21 |
Bu |
1388 |
1381 |
0.995 |
238 |
1571 |
|
|
22 |
Bu |
1293 |
1294 |
1.000 |
238 |
1572 |
|
|
23 |
Bu |
983 |
990 |
1.007 |
238 |
1573 |
|
|
24 |
Bu |
291 |
301 |
1.033 |
238 |
1574 |
CHCCH2CH3 |
1-Butyne |
1 |
A' |
3437 |
3332 |
0.969 |
239 |
1575 |
|
|
2 |
A' |
3078 |
2988 |
0.971 |
239 |
1576 |
|
|
3 |
A' |
2997 |
|
|
239 |
1577 |
|
|
4 |
A' |
2977 |
|
|
239 |
1578 |
|
|
5 |
A' |
2165 |
2116 |
0.977 |
239 |
1579 |
|
|
6 |
A' |
1481 |
1470 |
0.993 |
239 |
1580 |
|
|
7 |
A' |
1450 |
1446 |
0.997 |
239 |
1581 |
|
|
8 |
A' |
1386 |
1385 |
0.999 |
239 |
1582 |
|
|
9 |
A' |
1319 |
1322 |
1.002 |
239 |
1583 |
|
|
10 |
A' |
1067 |
1070 |
1.003 |
239 |
1584 |
|
|
11 |
A' |
1000 |
1008 |
1.008 |
239 |
1585 |
|
|
12 |
A' |
834 |
840 |
1.008 |
239 |
1586 |
|
|
13 |
A' |
587 |
634 |
1.080 |
239 |
1587 |
|
|
14 |
A' |
503 |
509 |
1.012 |
239 |
1588 |
|
|
15 |
A' |
193 |
197 |
1.020 |
239 |
1589 |
|
|
16 |
A" |
3085 |
2988 |
0.968 |
239 |
1590 |
|
|
17 |
A" |
3010 |
2939 |
0.976 |
239 |
1591 |
|
|
18 |
A" |
1473 |
1462 |
0.993 |
239 |
1592 |
|
|
19 |
A" |
1261 |
1261 |
1.000 |
239 |
1593 |
|
|
20 |
A" |
1084 |
1090 |
1.005 |
239 |
1594 |
|
|
21 |
A" |
776 |
782 |
1.007 |
239 |
1595 |
|
|
22 |
A" |
576 |
630 |
1.094 |
239 |
1596 |
|
|
23 |
A" |
345 |
344 |
0.995 |
239 |
1597 |
|
|
24 |
A" |
214 |
213 |
0.995 |
239 |
1598 |
CH3CCCH3 |
2-Butyne |
1 |
A1' |
2972 |
2916 |
0.981 |
240 |
1599 |
|
|
2 |
A1' |
2300 |
2240 |
0.974 |
240 |
1600 |
|
|
3 |
A1' |
1392 |
1380 |
0.992 |
240 |
1601 |
|
|
4 |
A1' |
714 |
725 |
1.016 |
240 |
1602 |
|
|
6 |
A2" |
2972 |
2938 |
0.988 |
240 |
1603 |
|
|
7 |
A2" |
1388 |
1382 |
0.996 |
240 |
1604 |
|
|
8 |
A2" |
1154 |
1152 |
0.998 |
240 |
1605 |
|
|
9 |
E' |
3038 |
2973 |
0.979 |
240 |
1606 |
|
|
10 |
E' |
1456 |
1456 |
1.000 |
240 |
1607 |
|
|
11 |
E' |
1045 |
1054 |
1.009 |
240 |
1608 |
|
|
12 |
E' |
194 |
213 |
1.096 |
240 |
1609 |
|
|
13 |
E" |
3039 |
2966 |
0.976 |
240 |
1610 |
|
|
14 |
E" |
1455 |
1448 |
0.995 |
240 |
1611 |
|
|
15 |
E" |
1014 |
1029 |
1.015 |
240 |
1612 |
|
|
16 |
E" |
336 |
371 |
1.105 |
240 |
1613 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
3089 |
3061 |
0.991 |
241 |
1614 |
|
|
2 |
A' |
3075 |
3010 |
0.979 |
241 |
1615 |
|
|
3 |
A' |
3071 |
2965 |
0.965 |
241 |
1616 |
|
|
4 |
A' |
2977 |
2905 |
0.976 |
241 |
1617 |
|
|
5 |
A' |
2009 |
1970 |
0.980 |
241 |
1618 |
|
|
6 |
A' |
1477 |
1453 |
0.983 |
241 |
1619 |
|
|
7 |
A' |
1445 |
1437 |
0.994 |
241 |
1620 |
|
|
8 |
A' |
1379 |
1389 |
1.007 |
241 |
1621 |
|
|
9 |
A' |
1334 |
1330 |
0.997 |
241 |
1622 |
|
|
10 |
A' |
1129 |
1132 |
1.003 |
241 |
1623 |
|
|
11 |
A' |
1067 |
1074 |
1.006 |
241 |
1624 |
|
|
12 |
A' |
863 |
876 |
1.015 |
241 |
1625 |
|
|
13 |
A' |
830 |
859 |
1.035 |
241 |
1626 |
|
|
14 |
A' |
558 |
555 |
0.994 |
241 |
1627 |
|
|
15 |
A' |
202 |
210 |
1.040 |
241 |
1628 |
|
|
16 |
A" |
3146 |
3061 |
0.973 |
241 |
1629 |
|
|
17 |
A" |
3034 |
2965 |
0.977 |
241 |
1630 |
|
|
18 |
A" |
1459 |
1453 |
0.996 |
241 |
1631 |
|
|
19 |
A" |
1033 |
1110 |
1.074 |
241 |
1632 |
|
|
20 |
A" |
998 |
1011 |
1.013 |
241 |
1633 |
|
|
21 |
A" |
866 |
842 |
0.972 |
241 |
1634 |
|
|
22 |
A" |
520 |
523 |
1.006 |
241 |
1635 |
|
|
23 |
A" |
328 |
322 |
0.982 |
241 |
1636 |
C4H6 |
Cyclobutene |
1 |
A1 |
3153 |
3060 |
0.971 |
242 |
1637 |
|
|
2 |
A1 |
2991 |
2935 |
0.981 |
242 |
1638 |
|
|
3 |
A1 |
1595 |
1570 |
0.984 |
242 |
1639 |
|
|
4 |
A1 |
1461 |
1450 |
0.993 |
242 |
1640 |
|
|
5 |
A1 |
1187 |
1276 |
1.075 |
242 |
1641 |
|
|
6 |
A1 |
1114 |
1186 |
1.065 |
242 |
1642 |
|
|
7 |
A1 |
984 |
1113 |
1.131 |
242 |
1643 |
|
|
8 |
A1 |
870 |
886 |
1.018 |
242 |
1644 |
|
|
9 |
A2 |
3028 |
2955 |
0.976 |
242 |
1645 |
|
|
10 |
A2 |
1142 |
1276 |
1.118 |
242 |
1646 |
|
|
11 |
A2 |
1014 |
1081 |
1.066 |
242 |
1647 |
|
|
12 |
A2 |
895 |
850 |
0.950 |
242 |
1648 |
|
|
13 |
A2 |
309 |
325 |
1.052 |
242 |
1649 |
|
|
14 |
B1 |
3042 |
2955 |
0.971 |
242 |
1650 |
|
|
15 |
B1 |
1075 |
1074 |
0.999 |
242 |
1651 |
|
|
16 |
B1 |
853 |
846 |
0.992 |
242 |
1652 |
|
|
17 |
B1 |
626 |
635 |
1.015 |
242 |
1653 |
|
|
18 |
B2 |
3121 |
3047 |
0.976 |
242 |
1654 |
|
|
19 |
B2 |
2986 |
2916 |
0.977 |
242 |
1655 |
|
|
20 |
B2 |
1441 |
1427 |
0.991 |
242 |
1656 |
|
|
21 |
B2 |
1291 |
1294 |
1.002 |
242 |
1657 |
|
|
22 |
B2 |
1206 |
1214 |
1.007 |
242 |
1658 |
|
|
23 |
B2 |
882 |
888 |
1.007 |
242 |
1659 |
|
|
24 |
B2 |
853 |
740 |
0.868 |
242 |
1660 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
3083 |
3010 |
0.976 |
243 |
1661 |
|
|
2 |
A1 |
3059 |
3002 |
0.981 |
243 |
1662 |
|
|
3 |
A1 |
1794 |
1743 |
0.972 |
243 |
1663 |
|
|
4 |
A1 |
1458 |
1437 |
0.986 |
243 |
1664 |
|
|
5 |
A1 |
1420 |
1410 |
0.993 |
243 |
1665 |
|
|
6 |
A1 |
1047 |
1036 |
0.990 |
243 |
1666 |
|
|
7 |
A1 |
1007 |
1002 |
0.995 |
243 |
1667 |
|
|
8 |
A1 |
738 |
723 |
0.979 |
243 |
1668 |
|
|
9 |
A2 |
3132 |
3051 |
0.974 |
243 |
1669 |
|
|
10 |
A2 |
1142 |
1144 |
1.002 |
243 |
1670 |
|
|
11 |
A2 |
936 |
937 |
1.002 |
243 |
1671 |
|
|
12 |
A2 |
598 |
616 |
1.030 |
243 |
1672 |
|
|
13 |
B1 |
3145 |
3071 |
0.977 |
243 |
1673 |
|
|
14 |
B1 |
1070 |
1072 |
1.002 |
243 |
1674 |
|
|
15 |
B1 |
871 |
889 |
1.020 |
243 |
1675 |
|
|
16 |
B1 |
743 |
748 |
1.007 |
243 |
1676 |
|
|
17 |
B1 |
271 |
360 |
1.329 |
243 |
1677 |
|
|
18 |
B2 |
3167 |
3086 |
0.974 |
243 |
1678 |
|
|
19 |
B2 |
3059 |
2999 |
0.980 |
243 |
1679 |
|
|
20 |
B2 |
1424 |
1353 |
0.950 |
243 |
1680 |
|
|
21 |
B2 |
1120 |
1174 |
1.048 |
243 |
1681 |
|
|
22 |
B2 |
1041 |
1125 |
1.081 |
243 |
1682 |
|
|
23 |
B2 |
893 |
792 |
0.887 |
243 |
1683 |
|
|
24 |
B2 |
343 |
290 |
0.846 |
243 |
1684 |
C4H6 |
Bicyclo[1.1.0]butane |
1 |
A1 |
3202 |
3131 |
0.978 |
244 |
1685 |
|
|
2 |
A1 |
3116 |
3044 |
0.977 |
244 |
1686 |
|
|
3 |
A1 |
3006 |
2935 |
0.976 |
244 |
1687 |
|
|
4 |
A1 |
1507 |
1501 |
0.996 |
244 |
1688 |
|
|
5 |
A1 |
1280 |
1266 |
0.989 |
244 |
1689 |
|
|
6 |
A1 |
1090 |
1081 |
0.991 |
244 |
1690 |
|
|
7 |
A1 |
871 |
839 |
0.963 |
244 |
1691 |
|
|
8 |
A1 |
661 |
657 |
0.994 |
244 |
1692 |
|
|
9 |
A1 |
410 |
423 |
1.031 |
244 |
1693 |
|
|
10 |
A2 |
1159 |
1172 |
1.011 |
244 |
1694 |
|
|
11 |
A2 |
1053 |
1063 |
1.009 |
244 |
1695 |
|
|
12 |
A2 |
918 |
909 |
0.990 |
244 |
1696 |
|
|
13 |
A2 |
842 |
838 |
0.995 |
244 |
1697 |
|
|
14 |
B1 |
3188 |
3120 |
0.979 |
244 |
1698 |
|
|
15 |
B1 |
1149 |
1110 |
0.966 |
244 |
1699 |
|
|
16 |
B1 |
1109 |
1092 |
0.985 |
244 |
1700 |
|
|
17 |
B1 |
980 |
980 |
1.000 |
244 |
1701 |
|
|
18 |
B1 |
745 |
737 |
0.990 |
244 |
1702 |
|
|
19 |
B2 |
3118 |
3044 |
0.976 |
244 |
1703 |
|
|
20 |
B2 |
3008 |
2969 |
0.987 |
244 |
1704 |
|
|
21 |
B2 |
1469 |
1485 |
1.011 |
244 |
1705 |
|
|
22 |
B2 |
1298 |
1261 |
0.971 |
244 |
1706 |
|
|
23 |
B2 |
1097 |
1081 |
0.986 |
244 |
1707 |
|
|
24 |
B2 |
941 |
935 |
0.994 |
244 |
1708 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3423 |
3345 |
0.977 |
245 |
1709 |
|
|
2 |
A' |
3045 |
2985 |
0.980 |
245 |
1710 |
|
|
3 |
A' |
2986 |
2840 |
0.951 |
245 |
1711 |
|
|
4 |
A' |
2968 |
2860 |
0.964 |
245 |
1712 |
|
|
5 |
A' |
1644 |
1622 |
0.987 |
245 |
1713 |
|
|
6 |
A' |
1478 |
1487 |
1.006 |
245 |
1714 |
|
|
7 |
A' |
1461 |
1465 |
1.003 |
245 |
1715 |
|
|
8 |
A' |
1383 |
1378 |
0.996 |
245 |
1716 |
|
|
9 |
A' |
1352 |
1397 |
1.034 |
245 |
1717 |
|
|
10 |
A' |
1121 |
1016 |
0.907 |
245 |
1718 |
|
|
11 |
A' |
1033 |
1086 |
1.051 |
245 |
1719 |
|
|
12 |
A' |
874 |
892 |
1.021 |
245 |
1720 |
|
|
13 |
A' |
827 |
773 |
0.935 |
245 |
1721 |
|
|
14 |
A' |
399 |
403 |
1.011 |
245 |
1722 |
|
|
15 |
A" |
3516 |
3412 |
0.970 |
245 |
1723 |
|
|
16 |
A" |
3053 |
2924 |
0.958 |
245 |
1724 |
|
|
17 |
A" |
3021 |
2906 |
0.962 |
245 |
1725 |
|
|
18 |
A" |
1471 |
1455 |
0.989 |
245 |
1726 |
|
|
19 |
A" |
1364 |
1238 |
0.907 |
245 |
1727 |
|
|
20 |
A" |
1245 |
1293 |
1.038 |
245 |
1728 |
|
|
21 |
A" |
990 |
1117 |
1.128 |
245 |
1729 |
|
|
22 |
A" |
766 |
816 |
1.065 |
245 |
1730 |
|
|
23 |
A" |
290 |
259 |
0.893 |
245 |
1731 |
|
|
24 |
A" |
246 |
218 |
0.885 |
245 |
1732 |
C4H5N |
Pyrrole |
1 |
A1 |
3632 |
3531 |
0.972 |
246 |
1733 |
|
|
2 |
A1 |
3232 |
3149 |
0.974 |
246 |
1734 |
|
|
3 |
A1 |
3211 |
3128 |
0.974 |
246 |
1735 |
|
|
4 |
A1 |
1468 |
1472 |
1.003 |
246 |
1736 |
|
|
5 |
A1 |
1397 |
1401 |
1.003 |
246 |
1737 |
|
|
6 |
A1 |
1155 |
1148 |
0.994 |
246 |
1738 |
|
|
7 |
A1 |
1079 |
1075 |
0.996 |
246 |
1739 |
|
|
8 |
A1 |
1017 |
1017 |
1.000 |
246 |
1740 |
|
|
9 |
A1 |
882 |
882 |
0.999 |
246 |
1741 |
|
|
10 |
A2 |
839 |
864 |
1.030 |
246 |
1742 |
|
|
11 |
A2 |
638 |
692 |
1.086 |
246 |
1743 |
|
|
12 |
A2 |
607 |
614 |
1.011 |
246 |
1744 |
|
|
13 |
B1 |
786 |
827 |
1.052 |
246 |
1745 |
|
|
14 |
B1 |
695 |
722 |
1.039 |
246 |
1746 |
|
|
15 |
B1 |
620 |
621 |
1.002 |
246 |
1747 |
|
|
16 |
B1 |
453 |
475 |
1.048 |
246 |
1748 |
|
|
17 |
B2 |
3226 |
3143 |
0.974 |
246 |
1749 |
|
|
18 |
B2 |
3200 |
3119 |
0.975 |
246 |
1750 |
|
|
19 |
B2 |
1540 |
1519 |
0.986 |
246 |
1751 |
|
|
20 |
B2 |
1424 |
1424 |
1.000 |
246 |
1752 |
|
|
21 |
B2 |
1279 |
1288 |
1.008 |
246 |
1753 |
|
|
22 |
B2 |
1142 |
1134 |
0.993 |
246 |
1754 |
|
|
23 |
B2 |
1046 |
1049 |
1.003 |
246 |
1755 |
|
|
24 |
B2 |
863 |
866 |
1.003 |
246 |
1756 |
C4H5N |
Cyclopropanecarbonitrile |
1 |
A' |
3204 |
3120 |
0.974 |
247 |
1757 |
|
|
2 |
A' |
3126 |
3052 |
0.976 |
247 |
1758 |
|
|
3 |
A' |
3106 |
3044 |
0.980 |
247 |
1759 |
|
|
4 |
A' |
2267 |
2264 |
0.999 |
247 |
1760 |
|
|
5 |
A' |
1480 |
1468 |
0.992 |
247 |
1761 |
|
|
6 |
A' |
1353 |
1344 |
0.993 |
247 |
1762 |
|
|
7 |
A' |
1197 |
1195 |
0.999 |
247 |
1763 |
|
|
8 |
A' |
1117 |
1125 |
1.007 |
247 |
1764 |
|
|
9 |
A' |
1041 |
1049 |
1.007 |
247 |
1765 |
|
|
10 |
A' |
953 |
941 |
0.987 |
247 |
1766 |
|
|
11 |
A' |
804 |
808 |
1.006 |
247 |
1767 |
|
|
12 |
A' |
744 |
736 |
0.989 |
247 |
1768 |
|
|
13 |
A' |
518 |
527 |
1.017 |
247 |
1769 |
|
|
14 |
A' |
205 |
222 |
1.085 |
247 |
1770 |
|
|
15 |
A" |
3190 |
3094 |
0.970 |
247 |
1771 |
|
|
16 |
A" |
3104 |
3040 |
0.980 |
247 |
1772 |
|
|
17 |
A" |
1448 |
1442 |
0.996 |
247 |
1773 |
|
|
18 |
A" |
1179 |
1180 |
1.001 |
247 |
1774 |
|
|
19 |
A" |
1082 |
1070 |
0.989 |
247 |
1775 |
|
|
20 |
A" |
1058 |
1088 |
1.028 |
247 |
1776 |
|
|
21 |
A" |
881 |
880 |
0.999 |
247 |
1777 |
|
|
22 |
A" |
816 |
821 |
1.006 |
247 |
1778 |
|
|
23 |
A" |
535 |
543 |
1.014 |
247 |
1779 |
|
|
24 |
A" |
207 |
222 |
1.075 |
247 |
1780 |
C4H4N2 |
Succinonitrile |
1 |
Ag |
3015 |
2947 |
0.977 |
248 |
1781 |
|
|
2 |
Ag |
2284 |
2254 |
0.987 |
248 |
1782 |
|
|
3 |
Ag |
1445 |
1422 |
0.984 |
248 |
1783 |
|
|
4 |
Ag |
1349 |
1328 |
0.985 |
248 |
1784 |
|
|
5 |
Ag |
993 |
1023 |
1.030 |
248 |
1785 |
|
|
6 |
Ag |
947 |
809 |
0.854 |
248 |
1786 |
|
|
7 |
Ag |
500 |
508 |
1.017 |
248 |
1787 |
|
|
8 |
Ag |
211 |
187 |
0.886 |
248 |
1788 |
|
|
9 |
Au |
3077 |
2985 |
0.970 |
248 |
1789 |
|
|
10 |
Au |
1185 |
1197 |
1.010 |
248 |
1790 |
|
|
11 |
Au |
757 |
760 |
1.004 |
248 |
1791 |
|
|
12 |
Au |
385 |
357 |
0.927 |
248 |
1792 |
|
|
13 |
Au |
73 |
|
|
248 |
1793 |
|
|
14 |
Bg |
3058 |
2982 |
0.975 |
248 |
1794 |
|
|
15 |
Bg |
1290 |
1226 |
0.951 |
248 |
1795 |
|
|
16 |
Bg |
1010 |
951 |
0.941 |
248 |
1796 |
|
|
17 |
Bg |
346 |
387 |
1.118 |
248 |
1797 |
|
|
18 |
Bu |
3025 |
2965 |
0.980 |
248 |
1798 |
|
|
19 |
Bu |
2286 |
2255 |
0.986 |
248 |
1799 |
|
|
20 |
Bu |
1451 |
1425 |
0.982 |
248 |
1800 |
|
|
21 |
Bu |
1264 |
1270 |
1.004 |
248 |
1801 |
|
|
22 |
Bu |
917 |
917 |
1.000 |
248 |
1802 |
|
|
23 |
Bu |
510 |
526 |
1.031 |
248 |
1803 |
|
|
24 |
Bu |
124 |
|
|
248 |
1804 |
C4H4N2 |
Pyridazine |
1 |
A1 |
3156 |
3063 |
0.970 |
249 |
1805 |
|
|
2 |
A1 |
3132 |
3043 |
0.971 |
249 |
1806 |
|
|
3 |
A1 |
1571 |
1572 |
1.001 |
249 |
1807 |
|
|
4 |
A1 |
1446 |
1414 |
0.978 |
249 |
1808 |
|
|
5 |
A1 |
1178 |
1283 |
1.089 |
249 |
1809 |
|
|
6 |
A1 |
1147 |
1160 |
1.011 |
249 |
1810 |
|
|
7 |
A1 |
1068 |
1063 |
0.995 |
249 |
1811 |
|
|
8 |
A1 |
984 |
964 |
0.980 |
249 |
1812 |
|
|
9 |
A1 |
665 |
619 |
0.930 |
249 |
1813 |
|
|
10 |
A2 |
980 |
936 |
0.955 |
249 |
1814 |
|
|
11 |
A2 |
911 |
863 |
0.947 |
249 |
1815 |
|
|
12 |
A2 |
742 |
751 |
1.012 |
249 |
1816 |
|
|
13 |
A2 |
350 |
421 |
1.202 |
249 |
1817 |
|
|
14 |
B1 |
946 |
|
|
249 |
1818 |
|
|
15 |
B1 |
733 |
760 |
1.037 |
249 |
1819 |
|
|
16 |
B1 |
346 |
370 |
1.069 |
249 |
1820 |
|
|
17 |
B2 |
3143 |
3075 |
0.978 |
249 |
1821 |
|
|
18 |
B2 |
3127 |
3043 |
0.973 |
249 |
1822 |
|
|
19 |
B2 |
1565 |
1565 |
1.000 |
249 |
1823 |
|
|
20 |
B2 |
1400 |
1444 |
1.031 |
249 |
1824 |
|
|
21 |
B2 |
1278 |
1239 |
0.969 |
249 |
1825 |
|
|
22 |
B2 |
1062 |
1052 |
0.990 |
249 |
1826 |
|
|
23 |
B2 |
1031 |
1009 |
0.979 |
249 |
1827 |
|
|
24 |
B2 |
618 |
664 |
1.074 |
249 |
1828 |
C4H4N2 |
1,3-Diazine |
1 |
A1 |
3155 |
3082 |
0.977 |
250 |
1829 |
|
|
2 |
A1 |
3129 |
3053 |
0.976 |
250 |
1830 |
|
|
3 |
A1 |
3112 |
3049 |
0.980 |
250 |
1831 |
|
|
4 |
A1 |
1569 |
1572 |
1.002 |
250 |
1832 |
|
|
5 |
A1 |
1404 |
1465 |
1.044 |
250 |
1833 |
|
|
6 |
A1 |
1139 |
1155 |
1.014 |
250 |
1834 |
|
|
7 |
A1 |
1061 |
1065 |
1.004 |
250 |
1835 |
|
|
8 |
A1 |
983 |
969 |
0.986 |
250 |
1836 |
|
|
9 |
A1 |
680 |
679 |
0.999 |
250 |
1837 |
|
|
10 |
A2 |
965 |
960 |
0.995 |
250 |
1838 |
|
|
11 |
A2 |
386 |
398 |
1.031 |
250 |
1839 |
|
|
12 |
B1 |
984 |
1033 |
1.050 |
250 |
1840 |
|
|
13 |
B1 |
945 |
980 |
1.037 |
250 |
1841 |
|
|
14 |
B1 |
793 |
804 |
1.014 |
250 |
1842 |
|
|
15 |
B1 |
714 |
719 |
1.007 |
250 |
1843 |
|
|
16 |
B1 |
323 |
347 |
1.074 |
250 |
1844 |
|
|
17 |
B2 |
3115 |
3047 |
0.978 |
250 |
1845 |
|
|
18 |
B2 |
1568 |
1569 |
1.001 |
250 |
1846 |
|
|
19 |
B2 |
1460 |
1411 |
0.967 |
250 |
1847 |
|
|
20 |
B2 |
1366 |
1356 |
0.993 |
250 |
1848 |
|
|
21 |
B2 |
1245 |
1224 |
0.983 |
250 |
1849 |
|
|
22 |
B2 |
1211 |
1158 |
0.956 |
250 |
1850 |
|
|
23 |
B2 |
1069 |
1071 |
1.002 |
250 |
1851 |
|
|
24 |
B2 |
620 |
621 |
1.001 |
250 |
1852 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3131 |
3055 |
0.976 |
251 |
1853 |
|
|
2 |
Ag |
1573 |
1580 |
1.004 |
251 |
1854 |
|
|
3 |
Ag |
1229 |
1233 |
1.003 |
251 |
1855 |
|
|
4 |
Ag |
1016 |
1016 |
1.000 |
251 |
1856 |
|
|
5 |
Ag |
598 |
602 |
1.007 |
251 |
1857 |
|
|
6 |
Au |
956 |
960 |
1.005 |
251 |
1858 |
|
|
7 |
Au |
318 |
350 |
1.101 |
251 |
1859 |
|
|
8 |
B1g |
913 |
927 |
1.015 |
251 |
1860 |
|
|
9 |
B1u |
3111 |
3012 |
0.968 |
251 |
1861 |
|
|
10 |
B1u |
1477 |
1483 |
1.004 |
251 |
1862 |
|
|
11 |
B1u |
1141 |
1130 |
0.990 |
251 |
1863 |
|
|
12 |
B1u |
1007 |
1018 |
1.011 |
251 |
1864 |
|
|
13 |
B2g |
947 |
983 |
1.038 |
251 |
1865 |
|
|
14 |
B2g |
748 |
756 |
1.011 |
251 |
1866 |
|
|
15 |
B2u |
3125 |
3069 |
0.982 |
251 |
1867 |
|
|
16 |
B2u |
1413 |
1411 |
0.998 |
251 |
1868 |
|
|
17 |
B2u |
1238 |
1149 |
0.928 |
251 |
1869 |
|
|
18 |
B2u |
1066 |
1063 |
0.997 |
251 |
1870 |
|
|
19 |
B3g |
3111 |
3040 |
0.977 |
251 |
1871 |
|
|
20 |
B3g |
1536 |
1525 |
0.993 |
251 |
1872 |
|
|
21 |
B3g |
1345 |
1346 |
1.001 |
251 |
1873 |
|
|
22 |
B3g |
704 |
704 |
1.000 |
251 |
1874 |
|
|
23 |
B3u |
773 |
785 |
1.015 |
251 |
1875 |
|
|
24 |
B3u |
413 |
418 |
1.013 |
251 |
1876 |
C3H6O |
2-Propen-1-ol |
1 |
A |
3755 |
3675 |
0.979 |
252 |
1877 |
|
|
2 |
A |
3185 |
3102 |
0.974 |
252 |
1878 |
|
|
3 |
A |
3112 |
3022 |
0.971 |
252 |
1879 |
|
|
4 |
A |
3095 |
2995 |
0.968 |
252 |
1880 |
|
|
5 |
A |
2965 |
2934 |
0.990 |
252 |
1881 |
|
|
6 |
A |
2919 |
2866 |
0.982 |
252 |
1882 |
|
|
7 |
A |
1675 |
1654 |
0.987 |
252 |
1883 |
|
|
8 |
A |
1479 |
1453 |
0.982 |
252 |
1884 |
|
|
9 |
A |
1439 |
1414 |
0.983 |
252 |
1885 |
|
|
10 |
A |
1385 |
1384 |
0.999 |
252 |
1886 |
|
|
11 |
A |
1288 |
1320 |
1.025 |
252 |
1887 |
|
|
12 |
A |
1249 |
1293 |
1.035 |
252 |
1888 |
|
|
13 |
A |
1202 |
1191 |
0.991 |
252 |
1889 |
|
|
14 |
A |
1137 |
1132 |
0.995 |
252 |
1890 |
|
|
15 |
A |
1007 |
1110 |
1.102 |
252 |
1891 |
|
|
16 |
A |
996 |
1038 |
1.042 |
252 |
1892 |
|
|
17 |
A |
941 |
995 |
1.058 |
252 |
1893 |
|
|
18 |
A |
916 |
919 |
1.004 |
252 |
1894 |
|
|
19 |
A |
900 |
885 |
0.984 |
252 |
1895 |
|
|
20 |
A |
635 |
606 |
0.954 |
252 |
1896 |
|
|
22 |
A |
327 |
377 |
1.153 |
252 |
1897 |
|
|
23 |
A |
242 |
277 |
1.147 |
252 |
1898 |
|
|
24 |
A |
108 |
188 |
1.735 |
252 |
1899 |
CH3CH2CHO |
Propanal |
1 |
A' |
3083 |
2981 |
0.967 |
253 |
1900 |
|
|
2 |
A' |
3006 |
2904 |
0.966 |
253 |
1901 |
|
|
3 |
A' |
2958 |
2895 |
0.979 |
253 |
1902 |
|
|
4 |
A' |
2809 |
2809 |
1.000 |
253 |
1903 |
|
|
5 |
A' |
1754 |
1743 |
0.993 |
253 |
1904 |
|
|
6 |
A' |
1477 |
1460 |
0.988 |
253 |
1905 |
|
|
7 |
A' |
1422 |
1416 |
0.996 |
253 |
1906 |
|
|
8 |
A' |
1394 |
1390 |
0.997 |
253 |
1907 |
|
|
9 |
A' |
1380 |
1376 |
0.997 |
253 |
1908 |
|
|
10 |
A' |
1332 |
1335 |
1.002 |
253 |
1909 |
|
|
11 |
A' |
1087 |
1093 |
1.005 |
253 |
1910 |
|
|
12 |
A' |
984 |
993 |
1.009 |
253 |
1911 |
|
|
13 |
A' |
832 |
848 |
1.020 |
253 |
1912 |
|
|
14 |
A' |
656 |
668 |
1.019 |
253 |
1913 |
|
|
15 |
A' |
250 |
271 |
1.086 |
253 |
1914 |
|
|
16 |
A" |
3088 |
2992 |
0.969 |
253 |
1915 |
|
|
17 |
A" |
2987 |
2942 |
0.985 |
253 |
1916 |
|
|
18 |
A" |
1470 |
1451 |
0.987 |
253 |
1917 |
|
|
19 |
A" |
1250 |
1250 |
1.000 |
253 |
1918 |
|
|
20 |
A" |
1113 |
1118 |
1.005 |
253 |
1919 |
|
|
21 |
A" |
881 |
892 |
1.013 |
253 |
1920 |
|
|
22 |
A" |
649 |
660 |
1.018 |
253 |
1921 |
|
|
23 |
A" |
217 |
220 |
1.012 |
253 |
1922 |
|
|
24 |
A" |
123 |
135 |
1.099 |
253 |
1923 |
C3H6O |
Oxetane |
1 |
A1 |
3033 |
2959 |
0.975 |
254 |
1924 |
|
|
2 |
A1 |
2973 |
2930 |
0.986 |
254 |
1925 |
|
|
3 |
A1 |
1516 |
1473 |
0.971 |
254 |
1926 |
|
|
4 |
A1 |
1468 |
1461 |
0.995 |
254 |
1927 |
|
|
5 |
A1 |
1347 |
1342 |
0.997 |
254 |
1928 |
|
|
6 |
A1 |
1015 |
1134 |
1.117 |
254 |
1929 |
|
|
7 |
A1 |
894 |
1018 |
1.138 |
254 |
1930 |
|
|
8 |
A1 |
787 |
908 |
1.154 |
254 |
1931 |
|
|
9 |
A2 |
3011 |
3000 |
0.996 |
254 |
1932 |
|
|
10 |
A2 |
1210 |
1283 |
1.061 |
254 |
1933 |
|
|
11 |
A2 |
1135 |
1185 |
1.044 |
254 |
1934 |
|
|
12 |
A2 |
828 |
986 |
1.191 |
254 |
1935 |
|
|
13 |
B1 |
3092 |
3007 |
0.972 |
254 |
1936 |
|
|
14 |
B1 |
3009 |
2940 |
0.977 |
254 |
1937 |
|
|
15 |
B1 |
1168 |
1225 |
1.049 |
254 |
1938 |
|
|
16 |
B1 |
1119 |
1142 |
1.020 |
254 |
1939 |
|
|
17 |
B1 |
760 |
836 |
1.100 |
254 |
1940 |
|
|
18 |
B1 |
22i |
90 |
-4.137 |
254 |
1941 |
|
|
19 |
B2 |
2963 |
2966 |
1.001 |
254 |
1942 |
|
|
20 |
B2 |
1487 |
1508 |
1.014 |
254 |
1943 |
|
|
21 |
B2 |
1284 |
1458 |
1.136 |
254 |
1944 |
|
|
22 |
B2 |
1232 |
1363 |
1.106 |
254 |
1945 |
|
|
23 |
B2 |
996 |
1228 |
1.233 |
254 |
1946 |
|
|
24 |
B2 |
927 |
936 |
1.009 |
254 |
1947 |
CH3OCH2CN |
Methoxyacetonitrile |
1 |
A |
3107 |
3018 |
0.971 |
255 |
1948 |
|
|
2 |
A |
3061 |
2985 |
0.975 |
255 |
1949 |
|
|
3 |
A |
3018 |
2958 |
0.980 |
255 |
1950 |
|
|
4 |
A |
2949 |
2945 |
0.999 |
255 |
1951 |
|
|
5 |
A |
2938 |
2922 |
0.995 |
255 |
1952 |
|
|
6 |
A |
2271 |
2245 |
0.989 |
255 |
1953 |
|
|
7 |
A |
1480 |
1472 |
0.995 |
255 |
1954 |
|
|
8 |
A |
1464 |
1452 |
0.992 |
255 |
1955 |
|
|
9 |
A |
1452 |
1439 |
0.991 |
255 |
1956 |
|
|
10 |
A |
1439 |
1431 |
0.994 |
255 |
1957 |
|
|
11 |
A |
1353 |
1368 |
1.011 |
255 |
1958 |
|
|
12 |
A |
1277 |
1287 |
1.008 |
255 |
1959 |
|
|
13 |
A |
1182 |
1199 |
1.014 |
255 |
1960 |
|
|
14 |
A |
1153 |
1161 |
1.007 |
255 |
1961 |
|
|
15 |
A |
1100 |
1127 |
1.025 |
255 |
1962 |
|
|
16 |
A |
1001 |
1016 |
1.015 |
255 |
1963 |
|
|
17 |
A |
901 |
925 |
1.027 |
255 |
1964 |
|
|
18 |
A |
871 |
890 |
1.022 |
255 |
1965 |
|
|
19 |
A |
580 |
586 |
1.010 |
255 |
1966 |
|
|
20 |
A |
381 |
404 |
1.062 |
255 |
1967 |
|
|
21 |
A |
343 |
347 |
1.013 |
255 |
1968 |
|
|
22 |
A |
246 |
243 |
0.990 |
255 |
1969 |
|
|
23 |
A |
169 |
170 |
1.004 |
255 |
1970 |
|
|
24 |
A |
113 |
113 |
1.000 |
255 |
1971 |
C3H6S |
Thietane |
1 |
A' |
3088 |
2994 |
0.970 |
256 |
1972 |
|
|
2 |
A' |
3058 |
2972 |
0.972 |
256 |
1973 |
|
|
3 |
A' |
3019 |
2946 |
0.976 |
256 |
1974 |
|
|
4 |
A' |
3003 |
2903 |
0.967 |
256 |
1975 |
|
|
5 |
A' |
1486 |
1470 |
0.989 |
256 |
1976 |
|
|
6 |
A' |
1460 |
1452 |
0.995 |
256 |
1977 |
|
|
7 |
A' |
1235 |
1224 |
0.991 |
256 |
1978 |
|
|
8 |
A' |
1180 |
1183 |
1.002 |
256 |
1979 |
|
|
9 |
A' |
972 |
975 |
1.003 |
256 |
1980 |
|
|
10 |
A' |
925 |
933 |
1.009 |
256 |
1981 |
|
|
11 |
A' |
836 |
845 |
1.011 |
256 |
1982 |
|
|
12 |
A' |
683 |
700 |
1.025 |
256 |
1983 |
|
|
13 |
A' |
516 |
529 |
1.026 |
256 |
1984 |
|
|
14 |
A' |
142 |
|
|
256 |
1985 |
|
|
15 |
A" |
3083 |
2994 |
0.971 |
256 |
1986 |
|
|
16 |
A" |
3017 |
2950 |
0.978 |
256 |
1987 |
|
|
17 |
A" |
1459 |
1454 |
0.997 |
256 |
1988 |
|
|
18 |
A" |
1287 |
1281 |
0.995 |
256 |
1989 |
|
|
19 |
A" |
1233 |
1229 |
0.997 |
256 |
1990 |
|
|
20 |
A" |
1173 |
1165 |
0.994 |
256 |
1991 |
|
|
21 |
A" |
1017 |
1011 |
0.994 |
256 |
1992 |
|
|
22 |
A" |
974 |
986 |
1.013 |
256 |
1993 |
|
|
23 |
A" |
818 |
823 |
1.006 |
256 |
1994 |
|
|
24 |
A" |
650 |
677 |
1.042 |
256 |
1995 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3108 |
2990 |
0.962 |
257 |
1996 |
|
|
2 |
A |
3093 |
2983 |
0.964 |
257 |
1997 |
|
|
3 |
A |
2999 |
2913 |
0.971 |
257 |
1998 |
|
|
4 |
A |
1452 |
1426 |
0.982 |
257 |
1999 |
|
|
5 |
A |
1440 |
1419 |
0.986 |
257 |
2000 |
|
|
6 |
A |
1332 |
1311 |
0.984 |
257 |
2001 |
|
|
7 |
A |
963 |
955 |
0.992 |
257 |
2002 |
|
|
8 |
A |
956 |
949 |
0.993 |
257 |
2003 |
|
|
9 |
A |
653 |
694 |
1.062 |
257 |
2004 |
|
|
10 |
A |
463 |
509 |
1.100 |
257 |
2005 |
|
|
11 |
A |
226 |
240 |
1.060 |
257 |
2006 |
|
|
12 |
A |
151 |
134 |
0.887 |
257 |
2007 |
|
|
13 |
A |
101 |
117 |
1.154 |
257 |
2008 |
|
|
14 |
B |
3107 |
2990 |
0.962 |
257 |
2009 |
|
|
15 |
B |
3093 |
2983 |
0.965 |
257 |
2010 |
|
|
16 |
B |
2996 |
2915 |
0.973 |
257 |
2011 |
|
|
17 |
B |
1456 |
1430 |
0.982 |
257 |
2012 |
|
|
18 |
B |
1433 |
1415 |
0.987 |
257 |
2013 |
|
|
19 |
B |
1325 |
1303 |
0.983 |
257 |
2014 |
|
|
20 |
B |
962 |
955 |
0.993 |
257 |
2015 |
|
|
21 |
B |
952 |
949 |
0.997 |
257 |
2016 |
|
|
22 |
B |
654 |
691 |
1.057 |
257 |
2017 |
|
|
23 |
B |
254 |
274 |
1.078 |
257 |
2018 |
|
|
24 |
B |
157 |
134 |
0.856 |
257 |
2019 |
C3H8 |
Propane |
1 |
A1 |
3057 |
2977 |
0.974 |
258 |
2020 |
|
|
2 |
A1 |
2979 |
2962 |
0.994 |
258 |
2021 |
|
|
3 |
A1 |
2975 |
2887 |
0.970 |
258 |
2022 |
|
|
4 |
A1 |
1489 |
1476 |
0.991 |
258 |
2023 |
|
|
5 |
A1 |
1469 |
1462 |
0.995 |
258 |
2024 |
|
|
6 |
A1 |
1397 |
1392 |
0.996 |
258 |
2025 |
|
|
7 |
A1 |
1153 |
1158 |
1.004 |
258 |
2026 |
|
|
8 |
A1 |
857 |
869 |
1.014 |
258 |
2027 |
|
|
9 |
A1 |
366 |
369 |
1.007 |
258 |
2028 |
|
|
10 |
A2 |
3045 |
2967 |
0.974 |
258 |
2029 |
|
|
11 |
A2 |
1467 |
1451 |
0.989 |
258 |
2030 |
|
|
12 |
A2 |
1291 |
1278 |
0.990 |
258 |
2031 |
|
|
13 |
A2 |
897 |
940 |
1.048 |
258 |
2032 |
|
|
14 |
A2 |
219 |
216 |
0.986 |
258 |
2033 |
|
|
15 |
B1 |
3055 |
2973 |
0.973 |
258 |
2034 |
|
|
16 |
B1 |
3005 |
2968 |
0.988 |
258 |
2035 |
|
|
17 |
B1 |
1486 |
1472 |
0.990 |
258 |
2036 |
|
|
18 |
B1 |
1189 |
1192 |
1.003 |
258 |
2037 |
|
|
19 |
B1 |
742 |
748 |
1.009 |
258 |
2038 |
|
|
20 |
B1 |
273 |
268 |
0.981 |
258 |
2039 |
|
|
21 |
B2 |
3054 |
2968 |
0.972 |
258 |
2040 |
|
|
22 |
B2 |
2975 |
2887 |
0.970 |
258 |
2041 |
|
|
23 |
B2 |
1474 |
1464 |
0.993 |
258 |
2042 |
|
|
24 |
B2 |
1380 |
1378 |
0.999 |
258 |
2043 |
|
|
25 |
B2 |
1337 |
1338 |
1.001 |
258 |
2044 |
|
|
26 |
B2 |
1039 |
1054 |
1.014 |
258 |
2045 |
|
|
27 |
B2 |
915 |
922 |
1.007 |
258 |
2046 |
C5H6 |
1,3-Cyclopentadiene |
1 |
A1 |
3192 |
3091 |
0.968 |
259 |
2047 |
|
|
2 |
A1 |
3166 |
3075 |
0.971 |
259 |
2048 |
|
|
3 |
A1 |
2972 |
2886 |
0.971 |
259 |
2049 |
|
|
4 |
A1 |
1511 |
1500 |
0.993 |
259 |
2050 |
|
|
5 |
A1 |
1384 |
1378 |
0.996 |
259 |
2051 |
|
|
6 |
A1 |
1371 |
1365 |
0.996 |
259 |
2052 |
|
|
7 |
A1 |
1108 |
1106 |
0.998 |
259 |
2053 |
|
|
8 |
A1 |
1005 |
994 |
0.989 |
259 |
2054 |
|
|
9 |
A1 |
911 |
915 |
1.004 |
259 |
2055 |
|
|
10 |
A1 |
798 |
802 |
1.005 |
259 |
2056 |
|
|
11 |
A2 |
1093 |
1100 |
1.007 |
259 |
2057 |
|
|
12 |
A2 |
915 |
941 |
1.029 |
259 |
2058 |
|
|
13 |
A2 |
678 |
700 |
1.032 |
259 |
2059 |
|
|
14 |
A2 |
505 |
516 |
1.021 |
259 |
2060 |
|
|
15 |
B1 |
3002 |
2900 |
0.966 |
259 |
2061 |
|
|
16 |
B1 |
911 |
925 |
1.015 |
259 |
2062 |
|
|
17 |
B1 |
888 |
891 |
1.003 |
259 |
2063 |
|
|
18 |
B1 |
659 |
664 |
1.007 |
259 |
2064 |
|
|
19 |
B1 |
331 |
350 |
1.058 |
259 |
2065 |
|
|
20 |
B2 |
3186 |
3105 |
0.975 |
259 |
2066 |
|
|
21 |
B2 |
3156 |
3043 |
0.964 |
259 |
2067 |
|
|
22 |
B2 |
1595 |
1580 |
0.991 |
259 |
2068 |
|
|
23 |
B2 |
1287 |
1292 |
1.004 |
259 |
2069 |
|
|
24 |
B2 |
1236 |
1239 |
1.003 |
259 |
2070 |
|
|
25 |
B2 |
1091 |
1090 |
0.999 |
259 |
2071 |
|
|
26 |
B2 |
954 |
959 |
1.005 |
259 |
2072 |
|
|
27 |
B2 |
802 |
805 |
1.004 |
259 |
2073 |
C3H7N |
Cyclopropylamine |
1 |
A' |
3434 |
3348 |
0.975 |
260 |
2074 |
|
|
2 |
A' |
3187 |
3100 |
0.973 |
260 |
2075 |
|
|
3 |
A' |
3092 |
3032 |
0.980 |
260 |
2076 |
|
|
4 |
A' |
3011 |
2975 |
0.988 |
260 |
2077 |
|
|
5 |
A' |
1636 |
1617 |
0.988 |
260 |
2078 |
|
|
6 |
A' |
1475 |
1456 |
0.987 |
260 |
2079 |
|
|
7 |
A' |
1378 |
1374 |
0.997 |
260 |
2080 |
|
|
8 |
A' |
1220 |
1214 |
0.995 |
260 |
2081 |
|
|
9 |
A' |
1152 |
1168 |
1.014 |
260 |
2082 |
|
|
10 |
A' |
1021 |
1150 |
1.126 |
260 |
2083 |
|
|
11 |
A' |
994 |
1020 |
1.027 |
260 |
2084 |
|
|
12 |
A' |
822 |
989 |
1.203 |
260 |
2085 |
|
|
13 |
A' |
790 |
805 |
1.019 |
260 |
2086 |
|
|
14 |
A' |
758 |
762 |
1.006 |
260 |
2087 |
|
|
15 |
A' |
406 |
408 |
1.006 |
260 |
2088 |
|
|
16 |
A" |
3526 |
3412 |
0.968 |
260 |
2089 |
|
|
17 |
A" |
3174 |
3100 |
0.977 |
260 |
2090 |
|
|
18 |
A" |
3088 |
3023 |
0.979 |
260 |
2091 |
|
|
19 |
A" |
1431 |
1424 |
0.995 |
260 |
2092 |
|
|
20 |
A" |
1240 |
1104 |
0.890 |
260 |
2093 |
|
|
21 |
A" |
1173 |
1045 |
0.891 |
260 |
2094 |
|
|
22 |
A" |
1098 |
1026 |
0.934 |
260 |
2095 |
|
|
23 |
A" |
1038 |
940 |
0.906 |
260 |
2096 |
|
|
24 |
A" |
887 |
884 |
0.996 |
260 |
2097 |
|
|
25 |
A" |
828 |
830 |
1.002 |
260 |
2098 |
|
|
26 |
A" |
391 |
396 |
1.013 |
260 |
2099 |
|
|
27 |
A" |
267 |
254 |
0.950 |
260 |
2100 |
C5H5N |
Pyridine |
1 |
A1 |
3155 |
3094 |
0.981 |
261 |
2101 |
|
|
2 |
A1 |
3132 |
3073 |
0.981 |
261 |
2102 |
|
|
3 |
A1 |
3112 |
3030 |
0.974 |
261 |
2103 |
|
|
4 |
A1 |
1589 |
1584 |
0.997 |
261 |
2104 |
|
|
5 |
A1 |
1480 |
1483 |
1.002 |
261 |
2105 |
|
|
6 |
A1 |
1219 |
1218 |
0.999 |
261 |
2106 |
|
|
7 |
A1 |
1072 |
1072 |
1.000 |
261 |
2107 |
|
|
8 |
A1 |
1027 |
1032 |
1.004 |
261 |
2108 |
|
|
9 |
A1 |
985 |
991 |
1.006 |
261 |
2109 |
|
|
10 |
A1 |
601 |
601 |
1.001 |
261 |
2110 |
|
|
11 |
A2 |
961 |
980 |
1.020 |
261 |
2111 |
|
|
12 |
A2 |
864 |
880 |
1.019 |
261 |
2112 |
|
|
13 |
A2 |
362 |
373 |
1.031 |
261 |
2113 |
|
|
14 |
B1 |
974 |
1007 |
1.034 |
261 |
2114 |
|
|
15 |
B1 |
923 |
937 |
1.015 |
261 |
2115 |
|
|
16 |
B1 |
734 |
744 |
1.014 |
261 |
2116 |
|
|
17 |
B1 |
691 |
700 |
1.014 |
261 |
2117 |
|
|
18 |
B1 |
401 |
403 |
1.005 |
261 |
2118 |
|
|
19 |
B2 |
3146 |
3087 |
0.981 |
261 |
2119 |
|
|
20 |
B2 |
3110 |
3042 |
0.978 |
261 |
2120 |
|
|
21 |
B2 |
1584 |
1581 |
0.998 |
261 |
2121 |
|
|
22 |
B2 |
1441 |
1442 |
1.001 |
261 |
2122 |
|
|
23 |
B2 |
1355 |
1362 |
1.005 |
261 |
2123 |
|
|
24 |
B2 |
1299 |
1227 |
0.945 |
261 |
2124 |
|
|
25 |
B2 |
1152 |
1143 |
0.992 |
261 |
2125 |
|
|
26 |
B2 |
1056 |
1079 |
1.022 |
261 |
2126 |
|
|
27 |
B2 |
654 |
652 |
0.997 |
261 |
2127 |
CHOCHCHCH3 |
2-Butenal |
1 |
A' |
3128 |
3058 |
0.978 |
262 |
2128 |
|
|
2 |
A' |
3088 |
2995 |
0.970 |
262 |
2129 |
|
|
3 |
A' |
3070 |
2963 |
0.965 |
262 |
2130 |
|
|
4 |
A' |
2975 |
2938 |
0.988 |
262 |
2131 |
|
|
5 |
A' |
2812 |
2805 |
0.997 |
262 |
2132 |
|
|
6 |
A' |
1707 |
1720 |
1.007 |
262 |
2133 |
|
|
7 |
A' |
1658 |
1649 |
0.995 |
262 |
2134 |
|
|
8 |
A' |
1459 |
1455 |
0.997 |
262 |
2135 |
|
|
9 |
A' |
1392 |
1391 |
0.999 |
262 |
2136 |
|
|
10 |
A' |
1383 |
1375 |
0.994 |
262 |
2137 |
|
|
11 |
A' |
1302 |
1304 |
1.002 |
262 |
2138 |
|
|
12 |
A' |
1256 |
1253 |
0.998 |
262 |
2139 |
|
|
13 |
A' |
1148 |
1147 |
1.000 |
262 |
2140 |
|
|
14 |
A' |
1078 |
1074 |
0.996 |
262 |
2141 |
|
|
15 |
A' |
926 |
973 |
1.050 |
262 |
2142 |
|
|
16 |
A' |
534 |
539 |
1.010 |
262 |
2143 |
|
|
17 |
A' |
454 |
464 |
1.023 |
262 |
2144 |
|
|
18 |
A' |
208 |
230 |
1.105 |
262 |
2145 |
|
|
19 |
A" |
3030 |
2980 |
0.984 |
262 |
2146 |
|
|
20 |
A" |
1452 |
1455 |
1.002 |
262 |
2147 |
|
|
21 |
A" |
1039 |
1042 |
1.002 |
262 |
2148 |
|
|
22 |
A" |
997 |
973 |
0.976 |
262 |
2149 |
|
|
23 |
A" |
971 |
928 |
0.955 |
262 |
2150 |
|
|
24 |
A" |
771 |
780 |
1.012 |
262 |
2151 |
|
|
25 |
A" |
289 |
295 |
1.021 |
262 |
2152 |
|
|
26 |
A" |
190 |
173 |
0.912 |
262 |
2153 |
|
|
27 |
A" |
121 |
122 |
1.005 |
262 |
2154 |
CH3COOCH3 |
methyl acetate |
1 |
A' |
3131 |
3035 |
0.969 |
263 |
2155 |
|
|
2 |
A' |
3126 |
3031 |
0.969 |
263 |
2156 |
|
|
3 |
A' |
3011 |
2966 |
0.985 |
263 |
2157 |
|
|
4 |
A' |
3009 |
2964 |
0.985 |
263 |
2158 |
|
|
5 |
A' |
1754 |
1771 |
1.010 |
263 |
2159 |
|
|
6 |
A' |
1471 |
1460 |
0.992 |
263 |
2160 |
|
|
7 |
A' |
1449 |
1440 |
0.994 |
263 |
2161 |
|
|
8 |
A' |
1439 |
1430 |
0.994 |
263 |
2162 |
|
|
9 |
A' |
1368 |
1375 |
1.005 |
263 |
2163 |
|
|
10 |
A' |
1224 |
1248 |
1.019 |
263 |
2164 |
|
|
11 |
A' |
1179 |
1159 |
0.983 |
263 |
2165 |
|
|
12 |
A' |
1034 |
1060 |
1.025 |
263 |
2166 |
|
|
13 |
A' |
960 |
980 |
1.021 |
263 |
2167 |
|
|
14 |
A' |
826 |
844 |
1.021 |
263 |
2168 |
|
|
15 |
A' |
625 |
639 |
1.023 |
263 |
2169 |
|
|
16 |
A' |
415 |
429 |
1.034 |
263 |
2170 |
|
|
17 |
A' |
274 |
303 |
1.107 |
263 |
2171 |
|
|
18 |
A" |
3093 |
3005 |
0.972 |
263 |
2172 |
|
|
19 |
A" |
3083 |
2994 |
0.971 |
263 |
2173 |
|
|
20 |
A" |
1458 |
1460 |
1.001 |
263 |
2174 |
|
|
21 |
A" |
1454 |
1430 |
0.984 |
263 |
2175 |
|
|
22 |
A" |
1145 |
1187 |
1.037 |
263 |
2176 |
|
|
23 |
A" |
1037 |
1036 |
0.999 |
263 |
2177 |
|
|
24 |
A" |
589 |
607 |
1.031 |
263 |
2178 |
|
|
25 |
A" |
176 |
187 |
1.064 |
263 |
2179 |
|
|
26 |
A" |
121 |
136 |
1.119 |
263 |
2180 |
|
|
27 |
A" |
46i |
110 |
-2.398 |
263 |
2181 |
C2H6O2S |
Dimethyl sulfone |
1 |
A1 |
3138 |
3018 |
0.962 |
264 |
2182 |
|
|
2 |
A1 |
3023 |
2936 |
0.971 |
264 |
2183 |
|
|
3 |
A1 |
1438 |
1451 |
1.009 |
264 |
2184 |
|
|
4 |
A1 |
1322 |
1337 |
1.011 |
264 |
2185 |
|
|
5 |
A1 |
1088 |
1121 |
1.031 |
264 |
2186 |
|
|
6 |
A1 |
985 |
1013 |
1.028 |
264 |
2187 |
|
|
7 |
A1 |
624 |
703 |
1.127 |
264 |
2188 |
|
|
8 |
A1 |
447 |
496 |
1.108 |
264 |
2189 |
|
|
9 |
A1 |
257 |
294 |
1.144 |
264 |
2190 |
|
|
10 |
A2 |
3135 |
3024 |
0.964 |
264 |
2191 |
|
|
11 |
A2 |
1428 |
1405 |
0.984 |
264 |
2192 |
|
|
12 |
A2 |
918 |
937 |
1.020 |
264 |
2193 |
|
|
13 |
A2 |
274 |
326 |
1.192 |
264 |
2194 |
|
|
14 |
A2 |
178 |
|
|
264 |
2195 |
|
|
15 |
B1 |
3139 |
3025 |
0.964 |
264 |
2196 |
|
|
16 |
B1 |
1443 |
1428 |
0.989 |
264 |
2197 |
|
|
17 |
B1 |
1258 |
1269 |
1.009 |
264 |
2198 |
|
|
18 |
B1 |
970 |
986 |
1.017 |
264 |
2199 |
|
|
19 |
B1 |
338 |
396 |
1.173 |
264 |
2200 |
|
|
20 |
B1 |
211 |
262 |
1.243 |
264 |
2201 |
|
|
21 |
B2 |
3137 |
3017 |
0.962 |
264 |
2202 |
|
|
22 |
B2 |
3020 |
2936 |
0.972 |
264 |
2203 |
|
|
23 |
B2 |
1428 |
1438 |
1.007 |
264 |
2204 |
|
|
24 |
B2 |
1303 |
1322 |
1.015 |
264 |
2205 |
|
|
25 |
B2 |
925 |
958 |
1.035 |
264 |
2206 |
|
|
26 |
B2 |
697 |
771 |
1.107 |
264 |
2207 |
|
|
27 |
B2 |
420 |
465 |
1.108 |
264 |
2208 |
CH3CHClCH3 |
Propane, 2-chloro- |
1 |
A' |
3097 |
3005 |
0.970 |
265 |
2209 |
|
|
2 |
A' |
3072 |
2955 |
0.962 |
265 |
2210 |
|
|
3 |
A' |
3043 |
2927 |
0.962 |
265 |
2211 |
|
|
4 |
A' |
2993 |
2878 |
0.962 |
265 |
2212 |
|
|
5 |
A' |
1486 |
1472 |
0.991 |
265 |
2213 |
|
|
6 |
A' |
1470 |
1454 |
0.989 |
265 |
2214 |
|
|
7 |
A' |
1397 |
1390 |
0.995 |
265 |
2215 |
|
|
8 |
A' |
1262 |
1270 |
1.007 |
265 |
2216 |
|
|
9 |
A' |
1162 |
1163 |
1.001 |
265 |
2217 |
|
|
10 |
A' |
1060 |
1065 |
1.005 |
265 |
2218 |
|
|
11 |
A' |
870 |
888 |
1.021 |
265 |
2219 |
|
|
12 |
A' |
578 |
633 |
1.096 |
265 |
2220 |
|
|
13 |
A' |
419 |
418 |
0.999 |
265 |
2221 |
|
|
14 |
A' |
335 |
336 |
1.002 |
265 |
2222 |
|
|
15 |
A' |
272 |
253 |
0.930 |
265 |
2223 |
|
|
16 |
A" |
3093 |
2997 |
0.969 |
265 |
2224 |
|
|
17 |
A" |
3065 |
2985 |
0.974 |
265 |
2225 |
|
|
18 |
A" |
2988 |
2947 |
0.986 |
265 |
2226 |
|
|
19 |
A" |
1464 |
1472 |
1.005 |
265 |
2227 |
|
|
20 |
A" |
1457 |
1454 |
0.998 |
265 |
2228 |
|
|
21 |
A" |
1382 |
1377 |
0.997 |
265 |
2229 |
|
|
22 |
A" |
1332 |
1334 |
1.001 |
265 |
2230 |
|
|
23 |
A" |
1125 |
1123 |
0.998 |
265 |
2231 |
|
|
24 |
A" |
933 |
972 |
1.042 |
265 |
2232 |
|
|
25 |
A" |
927 |
936 |
1.010 |
265 |
2233 |
|
|
26 |
A" |
318 |
317 |
0.997 |
265 |
2234 |
|
|
27 |
A" |
241 |
276 |
1.145 |
265 |
2235 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
1 |
A |
3132 |
3022 |
0.965 |
266 |
2236 |
|
|
2 |
A |
3101 |
3004 |
0.969 |
266 |
2237 |
|
|
3 |
A |
3089 |
2991 |
0.968 |
266 |
2238 |
|
|
4 |
A |
3066 |
2970 |
0.969 |
266 |
2239 |
|
|
5 |
A |
3055 |
2949 |
0.965 |
266 |
2240 |
|
|
6 |
A |
3005 |
2908 |
0.968 |
266 |
2241 |
|
|
7 |
A |
1476 |
1462 |
0.990 |
266 |
2242 |
|
|
8 |
A |
1469 |
1459 |
0.993 |
266 |
2243 |
|
|
9 |
A |
1454 |
1446 |
0.994 |
266 |
2244 |
|
|
10 |
A |
1391 |
1391 |
1.000 |
266 |
2245 |
|
|
11 |
A |
1349 |
1347 |
0.998 |
266 |
2246 |
|
|
12 |
A |
1289 |
1286 |
0.997 |
266 |
2247 |
|
|
13 |
A |
1239 |
1238 |
0.999 |
266 |
2248 |
|
|
14 |
A |
1193 |
1181 |
0.990 |
266 |
2249 |
|
|
15 |
A |
1121 |
1120 |
0.999 |
266 |
2250 |
|
|
16 |
A |
1068 |
1076 |
1.007 |
266 |
2251 |
|
|
17 |
A |
1010 |
1023 |
1.013 |
266 |
2252 |
|
|
18 |
A |
899 |
890 |
0.990 |
266 |
2253 |
|
|
19 |
A |
851 |
850 |
0.999 |
266 |
2254 |
|
|
20 |
A |
696 |
750 |
1.078 |
266 |
2255 |
|
|
21 |
A |
626 |
685 |
1.095 |
266 |
2256 |
|
|
22 |
A |
408 |
417 |
1.021 |
266 |
2257 |
|
|
23 |
A |
342 |
358 |
1.046 |
266 |
2258 |
|
|
24 |
A |
274 |
285 |
1.039 |
266 |
2259 |
|
|
25 |
A |
252 |
250 |
0.993 |
266 |
2260 |
|
|
26 |
A |
205 |
203 |
0.992 |
266 |
2261 |
|
|
27 |
A |
108 |
108 |
0.997 |
266 |
2262 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
3092 |
2989 |
0.967 |
267 |
2263 |
|
|
2 |
A1 |
3074 |
2941 |
0.957 |
267 |
2264 |
|
|
3 |
A1 |
2970 |
2911 |
0.980 |
267 |
2265 |
|
|
4 |
A1 |
1679 |
1661 |
0.989 |
267 |
2266 |
|
|
5 |
A1 |
1478 |
1470 |
0.995 |
267 |
2267 |
|
|
6 |
A1 |
1416 |
1416 |
1.000 |
267 |
2268 |
|
|
7 |
A1 |
1388 |
1366 |
0.984 |
267 |
2269 |
|
|
8 |
A1 |
1062 |
1064 |
1.001 |
267 |
2270 |
|
|
9 |
A1 |
802 |
801 |
0.998 |
267 |
2271 |
|
|
10 |
A1 |
377 |
383 |
1.017 |
267 |
2272 |
|
|
11 |
A2 |
3019 |
2970 |
0.984 |
267 |
2273 |
|
|
12 |
A2 |
1446 |
1459 |
1.009 |
267 |
2274 |
|
|
13 |
A2 |
998 |
1076 |
1.078 |
267 |
2275 |
|
|
14 |
A2 |
678 |
|
|
267 |
2276 |
|
|
15 |
A2 |
156 |
193 |
1.239 |
267 |
2277 |
|
|
16 |
B1 |
3021 |
2945 |
0.975 |
267 |
2278 |
|
|
17 |
B1 |
1466 |
1444 |
0.985 |
267 |
2279 |
|
|
18 |
B1 |
1079 |
1079 |
1.000 |
267 |
2280 |
|
|
19 |
B1 |
871 |
890 |
1.021 |
267 |
2281 |
|
|
20 |
B1 |
426 |
429 |
1.008 |
267 |
2282 |
|
|
21 |
B1 |
202 |
196 |
0.972 |
267 |
2283 |
|
|
22 |
B2 |
3176 |
3086 |
0.972 |
267 |
2284 |
|
|
23 |
B2 |
3072 |
2980 |
0.970 |
267 |
2285 |
|
|
24 |
B2 |
2964 |
2893 |
0.976 |
267 |
2286 |
|
|
25 |
B2 |
1458 |
1458 |
1.000 |
267 |
2287 |
|
|
26 |
B2 |
1382 |
1381 |
0.999 |
267 |
2288 |
|
|
27 |
B2 |
1268 |
1282 |
1.011 |
267 |
2289 |
|
|
28 |
B2 |
964 |
1043 |
1.081 |
267 |
2290 |
|
|
29 |
B2 |
943 |
974 |
1.033 |
267 |
2291 |
|
|
30 |
B2 |
430 |
430 |
1.000 |
267 |
2292 |
CH3CHCHCH3 |
2-Butene, (Z)- |
1 |
A1 |
3101 |
3033 |
0.978 |
268 |
2293 |
|
|
2 |
A1 |
3075 |
2965 |
0.964 |
268 |
2294 |
|
|
3 |
A1 |
2973 |
2878 |
0.968 |
268 |
2295 |
|
|
4 |
A1 |
1691 |
1669 |
0.987 |
268 |
2296 |
|
|
5 |
A1 |
1470 |
1448 |
0.985 |
268 |
2297 |
|
|
6 |
A1 |
1391 |
1397 |
1.004 |
268 |
2298 |
|
|
7 |
A1 |
1269 |
1261 |
0.994 |
268 |
2299 |
|
|
8 |
A1 |
1003 |
986 |
0.983 |
268 |
2300 |
|
|
9 |
A1 |
855 |
880 |
1.030 |
268 |
2301 |
|
|
10 |
A1 |
281 |
290 |
1.032 |
268 |
2302 |
|
|
11 |
A2 |
3022 |
2988 |
0.989 |
268 |
2303 |
|
|
12 |
A2 |
1457 |
1464 |
1.005 |
268 |
2304 |
|
|
13 |
A2 |
1029 |
1037 |
1.007 |
268 |
2305 |
|
|
14 |
A2 |
969 |
880 |
0.908 |
268 |
2306 |
|
|
15 |
A2 |
380 |
396 |
1.043 |
268 |
2307 |
|
|
17 |
B1 |
3022 |
2965 |
0.981 |
268 |
2308 |
|
|
18 |
B1 |
1462 |
1448 |
0.991 |
268 |
2309 |
|
|
19 |
B1 |
1040 |
986 |
0.948 |
268 |
2310 |
|
|
20 |
B1 |
672 |
673 |
1.001 |
268 |
2311 |
|
|
22 |
B2 |
3080 |
3033 |
0.985 |
268 |
2312 |
|
|
23 |
B2 |
3062 |
2965 |
0.968 |
268 |
2313 |
|
|
24 |
B2 |
2970 |
2900 |
0.976 |
268 |
2314 |
|
|
25 |
B2 |
1463 |
1448 |
0.990 |
268 |
2315 |
|
|
26 |
B2 |
1409 |
1420 |
1.008 |
268 |
2316 |
|
|
27 |
B2 |
1362 |
1397 |
1.025 |
268 |
2317 |
|
|
28 |
B2 |
1131 |
1135 |
1.004 |
268 |
2318 |
|
|
29 |
B2 |
964 |
986 |
1.022 |
268 |
2319 |
|
|
30 |
B2 |
559 |
583 |
1.044 |
268 |
2320 |
CH3CHCHCH3 |
2-Butene, (E)- |
1 |
Ag |
3072 |
3011 |
0.980 |
269 |
2321 |
|
|
2 |
Ag |
3056 |
2954 |
0.967 |
269 |
2322 |
|
|
3 |
Ag |
2966 |
2874 |
0.969 |
269 |
2323 |
|
|
4 |
Ag |
1700 |
1680 |
0.988 |
269 |
2324 |
|
|
5 |
Ag |
1464 |
1457 |
0.995 |
269 |
2325 |
|
|
6 |
Ag |
1388 |
1385 |
0.998 |
269 |
2326 |
|
|
7 |
Ag |
1304 |
1309 |
1.004 |
269 |
2327 |
|
|
8 |
Ag |
1143 |
1146 |
1.003 |
269 |
2328 |
|
|
9 |
Ag |
862 |
866 |
1.005 |
269 |
2329 |
|
|
10 |
Ag |
494 |
501 |
1.015 |
269 |
2330 |
|
|
11 |
Au |
3018 |
2960 |
0.981 |
269 |
2331 |
|
|
12 |
Au |
1454 |
1449 |
0.996 |
269 |
2332 |
|
|
13 |
Au |
1045 |
1057 |
1.011 |
269 |
2333 |
|
|
14 |
Au |
968 |
964 |
0.996 |
269 |
2334 |
|
|
15 |
Au |
234 |
224 |
0.955 |
269 |
2335 |
|
|
17 |
Bg |
3019 |
2954 |
0.979 |
269 |
2336 |
|
|
18 |
Bg |
1455 |
1457 |
1.001 |
269 |
2337 |
|
|
19 |
Bg |
1034 |
1039 |
1.005 |
269 |
2338 |
|
|
20 |
Bg |
728 |
750 |
1.030 |
269 |
2339 |
|
|
22 |
Bu |
3080 |
3021 |
0.981 |
269 |
2340 |
|
|
23 |
Bu |
3055 |
2960 |
0.969 |
269 |
2341 |
|
|
24 |
Bu |
2965 |
2899 |
0.978 |
269 |
2342 |
|
|
25 |
Bu |
1473 |
1449 |
0.984 |
269 |
2343 |
|
|
26 |
Bu |
1388 |
1393 |
1.004 |
269 |
2344 |
|
|
27 |
Bu |
1301 |
1311 |
1.008 |
269 |
2345 |
|
|
28 |
Bu |
1059 |
1072 |
1.012 |
269 |
2346 |
|
|
29 |
Bu |
969 |
987 |
1.019 |
269 |
2347 |
|
|
30 |
Bu |
278 |
261 |
0.940 |
269 |
2348 |
C6H6 |
Benzene |
1 |
A1g |
3156 |
3062 |
0.970 |
270 |
2349 |
|
|
2 |
A1g |
994 |
992 |
0.998 |
270 |
2350 |
|
|
3 |
A2g |
1347 |
1326 |
0.985 |
270 |
2351 |
|
|
4 |
A2u |
664 |
673 |
1.013 |
270 |
2352 |
|
|
5 |
B1u |
3120 |
3068 |
0.983 |
270 |
2353 |
|
|
6 |
B1u |
997 |
1010 |
1.013 |
270 |
2354 |
|
|
7 |
B2g |
977 |
995 |
1.019 |
270 |
2355 |
|
|
8 |
B2g |
693 |
703 |
1.014 |
270 |
2356 |
|
|
9 |
B2u |
1351 |
1310 |
0.970 |
270 |
2357 |
|
|
10 |
B2u |
1159 |
1150 |
0.992 |
270 |
2358 |
|
|
11 |
E1g |
833 |
849 |
1.019 |
270 |
2359 |
|
|
12 |
E1u |
3146 |
3063 |
0.974 |
270 |
2360 |
|
|
13 |
E1u |
1482 |
1486 |
1.003 |
270 |
2361 |
|
|
14 |
E1u |
1041 |
1038 |
0.997 |
270 |
2362 |
|
|
15 |
E2g |
3130 |
3047 |
0.973 |
270 |
2363 |
|
|
16 |
E2g |
1603 |
1596 |
0.996 |
270 |
2364 |
|
|
17 |
E2g |
1178 |
1178 |
1.000 |
270 |
2365 |
|
|
18 |
E2g |
607 |
606 |
0.998 |
270 |
2366 |
|
|
19 |
E2u |
946 |
975 |
1.030 |
270 |
2367 |
|
|
20 |
E2u |
398 |
410 |
1.031 |
270 |
2368 |
C6H6 |
Fulvene |
1 |
A1 |
3199 |
3088 |
0.965 |
271 |
2369 |
|
|
2 |
A1 |
3176 |
3051 |
0.961 |
271 |
2370 |
|
|
3 |
A1 |
3100 |
3008 |
0.970 |
271 |
2371 |
|
|
4 |
A1 |
1659 |
1632 |
0.984 |
271 |
2372 |
|
|
5 |
A1 |
1494 |
1486 |
0.995 |
271 |
2373 |
|
|
6 |
A1 |
1429 |
1449 |
1.014 |
271 |
2374 |
|
|
7 |
A1 |
1344 |
1342 |
0.998 |
271 |
2375 |
|
|
8 |
A1 |
1083 |
1082 |
0.999 |
271 |
2376 |
|
|
9 |
A1 |
993 |
986 |
0.993 |
271 |
2377 |
|
|
10 |
A1 |
899 |
894 |
0.995 |
271 |
2378 |
|
|
11 |
A1 |
669 |
641 |
0.958 |
271 |
2379 |
|
|
12 |
A2 |
899 |
|
|
271 |
2380 |
|
|
13 |
A2 |
749 |
|
|
271 |
2381 |
|
|
14 |
A2 |
664 |
666 |
1.003 |
271 |
2382 |
|
|
15 |
A2 |
470 |
494 |
1.050 |
271 |
2383 |
|
|
16 |
B1 |
922 |
926 |
1.004 |
271 |
2384 |
|
|
17 |
B1 |
886 |
907 |
1.023 |
271 |
2385 |
|
|
18 |
B1 |
762 |
769 |
1.009 |
271 |
2386 |
|
|
19 |
B1 |
618 |
613 |
0.992 |
271 |
2387 |
|
|
20 |
B1 |
200 |
|
|
271 |
2388 |
|
|
21 |
B2 |
3193 |
|
|
271 |
2389 |
|
|
22 |
B2 |
3191 |
3104 |
0.973 |
271 |
2390 |
|
|
23 |
B2 |
3165 |
3075 |
0.971 |
271 |
2391 |
|
|
24 |
B2 |
1573 |
1550 |
0.986 |
271 |
2392 |
|
|
25 |
B2 |
1306 |
1314 |
1.006 |
271 |
2393 |
|
|
26 |
B2 |
1229 |
1232 |
1.003 |
271 |
2394 |
|
|
27 |
B2 |
1084 |
1077 |
0.993 |
271 |
2395 |
|
|
28 |
B2 |
947 |
952 |
1.005 |
271 |
2396 |
|
|
29 |
B2 |
791 |
795 |
1.005 |
271 |
2397 |
|
|
30 |
B2 |
337 |
350 |
1.038 |
271 |
2398 |
CH3CH2CH2CN |
Butanenitrile |
1 |
A' |
3071 |
2977 |
0.969 |
272 |
2399 |
|
|
2 |
A' |
3008 |
2895 |
0.963 |
272 |
2400 |
|
|
3 |
A' |
2989 |
2888 |
0.966 |
272 |
2401 |
|
|
4 |
A' |
2986 |
2883 |
0.966 |
272 |
2402 |
|
|
5 |
A' |
2276 |
2263 |
0.994 |
272 |
2403 |
|
|
6 |
A' |
1484 |
1472 |
0.992 |
272 |
2404 |
|
|
7 |
A' |
1472 |
1457 |
0.990 |
272 |
2405 |
|
|
8 |
A' |
1444 |
1438 |
0.996 |
272 |
2406 |
|
|
9 |
A' |
1395 |
1393 |
0.998 |
272 |
2407 |
|
|
10 |
A' |
1354 |
1346 |
0.994 |
272 |
2408 |
|
|
11 |
A' |
1276 |
1334 |
1.045 |
272 |
2409 |
|
|
12 |
A' |
1089 |
1100 |
1.010 |
272 |
2410 |
|
|
13 |
A' |
1023 |
1053 |
1.029 |
272 |
2411 |
|
|
14 |
A' |
939 |
920 |
0.979 |
272 |
2412 |
|
|
15 |
A' |
862 |
842 |
0.976 |
272 |
2413 |
|
|
16 |
A' |
516 |
551 |
1.067 |
272 |
2414 |
|
|
17 |
A' |
344 |
358 |
1.040 |
272 |
2415 |
|
|
18 |
A' |
160 |
|
|
272 |
2416 |
|
|
19 |
A" |
3068 |
2986 |
0.973 |
272 |
2417 |
|
|
20 |
A" |
3046 |
2964 |
0.973 |
272 |
2418 |
|
|
21 |
A" |
3027 |
2950 |
0.975 |
272 |
2419 |
|
|
22 |
A" |
1480 |
1469 |
0.993 |
272 |
2420 |
|
|
23 |
A" |
1303 |
1267 |
0.972 |
272 |
2421 |
|
|
24 |
A" |
1235 |
1234 |
0.999 |
272 |
2422 |
|
|
25 |
A" |
1104 |
1083 |
0.981 |
272 |
2423 |
|
|
26 |
A" |
860 |
871 |
1.012 |
272 |
2424 |
|
|
27 |
A" |
734 |
764 |
1.041 |
272 |
2425 |
|
|
28 |
A" |
371 |
370 |
0.996 |
272 |
2426 |
|
|
29 |
A" |
244 |
|
|
272 |
2427 |
|
|
30 |
A" |
91 |
|
|
272 |
2428 |
C3H6O3 |
1,3,5-Trioxane |
1 |
A1 |
3115 |
3020 |
0.970 |
273 |
2429 |
|
|
2 |
A1 |
2902 |
2855 |
0.984 |
273 |
2430 |
|
|
3 |
A1 |
1486 |
1477 |
0.994 |
273 |
2431 |
|
|
4 |
A1 |
1207 |
1168 |
0.968 |
273 |
2432 |
|
|
5 |
A1 |
948 |
970 |
1.023 |
273 |
2433 |
|
|
6 |
A1 |
729 |
749 |
1.027 |
273 |
2434 |
|
|
7 |
A1 |
458 |
476 |
1.040 |
273 |
2435 |
|
|
8 |
A2 |
1366 |
|
|
273 |
2436 |
|
|
9 |
A2 |
1216 |
1255 |
1.032 |
273 |
2437 |
|
|
10 |
A2 |
863 |
|
|
273 |
2438 |
|
|
11 |
E |
3112 |
3020 |
0.970 |
273 |
2439 |
|
|
12 |
E |
2884 |
2855 |
0.990 |
273 |
2440 |
|
|
13 |
E |
1469 |
1477 |
1.006 |
273 |
2441 |
|
|
14 |
E |
1406 |
1412 |
1.004 |
273 |
2442 |
|
|
15 |
E |
1296 |
1309 |
1.010 |
273 |
2443 |
|
|
16 |
E |
1145 |
1168 |
1.020 |
273 |
2444 |
|
|
17 |
E |
1046 |
1068 |
1.021 |
273 |
2445 |
|
|
18 |
E |
910 |
935 |
1.027 |
273 |
2446 |
|
|
19 |
E |
512 |
524 |
1.023 |
273 |
2447 |
|
|
20 |
E |
289 |
307 |
1.063 |
273 |
2448 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
1 |
A' |
3099 |
2991 |
0.965 |
274 |
2449 |
|
|
2 |
A' |
3066 |
2957 |
0.964 |
274 |
2450 |
|
|
3 |
A' |
2991 |
2920 |
0.976 |
274 |
2451 |
|
|
4 |
A' |
2985 |
2871 |
0.962 |
274 |
2452 |
|
|
5 |
A' |
2983 |
2830 |
0.949 |
274 |
2453 |
|
|
6 |
A' |
1481 |
1461 |
0.986 |
274 |
2454 |
|
|
7 |
A' |
1464 |
1435 |
0.980 |
274 |
2455 |
|
|
8 |
A' |
1458 |
1427 |
0.979 |
274 |
2456 |
|
|
9 |
A' |
1390 |
1377 |
0.991 |
274 |
2457 |
|
|
10 |
A' |
1341 |
1321 |
0.985 |
274 |
2458 |
|
|
11 |
A' |
1278 |
1262 |
0.988 |
274 |
2459 |
|
|
12 |
A' |
1071 |
1060 |
0.989 |
274 |
2460 |
|
|
13 |
A' |
976 |
|
|
274 |
2461 |
|
|
14 |
A' |
956 |
968 |
1.013 |
274 |
2462 |
|
|
15 |
A' |
698 |
727 |
1.041 |
274 |
2463 |
|
|
16 |
A' |
653 |
654 |
1.001 |
274 |
2464 |
|
|
17 |
A' |
342 |
353 |
1.033 |
274 |
2465 |
|
|
18 |
A' |
195 |
227 |
1.167 |
274 |
2466 |
|
|
19 |
A" |
3076 |
2991 |
0.972 |
274 |
2467 |
|
|
20 |
A" |
3067 |
2957 |
0.964 |
274 |
2468 |
|
|
21 |
A" |
3030 |
2920 |
0.964 |
274 |
2469 |
|
|
22 |
A" |
1471 |
1449 |
0.985 |
274 |
2470 |
|
|
23 |
A" |
1444 |
1435 |
0.994 |
274 |
2471 |
|
|
24 |
A" |
1242 |
1239 |
0.998 |
274 |
2472 |
|
|
25 |
A" |
1032 |
|
|
274 |
2473 |
|
|
26 |
A" |
958 |
954 |
0.996 |
274 |
2474 |
|
|
27 |
A" |
781 |
757 |
0.969 |
274 |
2475 |
|
|
28 |
A" |
241 |
|
|
274 |
2476 |
|
|
29 |
A" |
164 |
|
|
274 |
2477 |
|
|
30 |
A" |
61 |
|
|
274 |
2478 |
C5H6S |
Thiophene, 3-methyl- |
1 |
A' |
3213 |
3111 |
0.968 |
275 |
2479 |
|
|
2 |
A' |
3205 |
3104 |
0.969 |
275 |
2480 |
|
|
3 |
A' |
3155 |
3062 |
0.971 |
275 |
2481 |
|
|
4 |
A' |
3076 |
2971 |
0.966 |
275 |
2482 |
|
|
5 |
A' |
2981 |
2923 |
0.981 |
275 |
2483 |
|
|
6 |
A' |
1554 |
1543 |
0.993 |
275 |
2484 |
|
|
7 |
A' |
1472 |
1447 |
0.983 |
275 |
2485 |
|
|
8 |
A' |
1424 |
1407 |
0.988 |
275 |
2486 |
|
|
9 |
A' |
1393 |
1385 |
0.994 |
275 |
2487 |
|
|
10 |
A' |
1381 |
1373 |
0.994 |
275 |
2488 |
|
|
11 |
A' |
1230 |
1234 |
1.003 |
275 |
2489 |
|
|
12 |
A' |
1161 |
1154 |
0.994 |
275 |
2490 |
|
|
13 |
A' |
1087 |
1080 |
0.994 |
275 |
2491 |
|
|
14 |
A' |
994 |
993 |
0.999 |
275 |
2492 |
|
|
15 |
A' |
935 |
931 |
0.996 |
275 |
2493 |
|
|
16 |
A' |
844 |
857 |
1.015 |
275 |
2494 |
|
|
17 |
A' |
809 |
830 |
1.025 |
275 |
2495 |
|
|
18 |
A' |
654 |
659 |
1.008 |
275 |
2496 |
|
|
19 |
A' |
538 |
542 |
1.007 |
275 |
2497 |
|
|
20 |
A' |
317 |
329 |
1.038 |
275 |
2498 |
|
|
21 |
A" |
3038 |
2945 |
0.969 |
275 |
2499 |
|
|
22 |
A" |
1461 |
1452 |
0.994 |
275 |
2500 |
|
|
23 |
A" |
1035 |
1036 |
1.001 |
275 |
2501 |
|
|
24 |
A" |
844 |
874 |
1.035 |
275 |
2502 |
|
|
25 |
A" |
737 |
762 |
1.035 |
275 |
2503 |
|
|
26 |
A" |
645 |
685 |
1.061 |
275 |
2504 |
|
|
27 |
A" |
584 |
594 |
1.018 |
275 |
2505 |
|
|
28 |
A" |
446 |
464 |
1.040 |
275 |
2506 |
|
|
29 |
A" |
225 |
238 |
1.060 |
275 |
2507 |
|
|
30 |
A" |
102 |
|
|
275 |
2508 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1 |
A |
3191 |
3088 |
0.968 |
276 |
2509 |
|
|
2 |
A |
3113 |
3017 |
0.969 |
276 |
2510 |
|
|
3 |
A |
3099 |
3011 |
0.972 |
276 |
2511 |
|
|
4 |
A |
3094 |
2990 |
0.966 |
276 |
2512 |
|
|
5 |
A |
3074 |
2974 |
0.967 |
276 |
2513 |
|
|
6 |
A |
3055 |
2967 |
0.971 |
276 |
2514 |
|
|
7 |
A |
2993 |
2927 |
0.978 |
276 |
2515 |
|
|
8 |
A |
1665 |
1645 |
0.988 |
276 |
2516 |
|
|
9 |
A |
1470 |
1452 |
0.987 |
276 |
2517 |
|
|
10 |
A |
1463 |
1447 |
0.989 |
276 |
2518 |
|
|
11 |
A |
1431 |
1424 |
0.995 |
276 |
2519 |
|
|
12 |
A |
1385 |
1375 |
0.993 |
276 |
2520 |
|
|
13 |
A |
1310 |
1297 |
0.990 |
276 |
2521 |
|
|
14 |
A |
1290 |
1283 |
0.994 |
276 |
2522 |
|
|
15 |
A |
1231 |
1233 |
1.002 |
276 |
2523 |
|
|
16 |
A |
1172 |
1174 |
1.002 |
276 |
2524 |
|
|
17 |
A |
1085 |
1090 |
1.005 |
276 |
2525 |
|
|
18 |
A |
1016 |
1025 |
1.009 |
276 |
2526 |
|
|
19 |
A |
993 |
988 |
0.995 |
276 |
2527 |
|
|
20 |
A |
962 |
966 |
1.004 |
276 |
2528 |
|
|
21 |
A |
916 |
931 |
1.016 |
276 |
2529 |
|
|
22 |
A |
852 |
864 |
1.014 |
276 |
2530 |
|
|
23 |
A |
690 |
708 |
1.025 |
276 |
2531 |
|
|
24 |
A |
589 |
625 |
1.060 |
276 |
2532 |
|
|
25 |
A |
439 |
456 |
1.038 |
276 |
2533 |
|
|
26 |
A |
316 |
319 |
1.009 |
276 |
2534 |
|
|
27 |
A |
299 |
305 |
1.022 |
276 |
2535 |
|
|
28 |
A |
274 |
283 |
1.034 |
276 |
2536 |
|
|
29 |
A |
249 |
245 |
0.983 |
276 |
2537 |
|
|
30 |
A |
98 |
92 |
0.939 |
276 |
2538 |
C6H5Cl |
chlorobenzene |
1 |
A1 |
3167 |
3084 |
0.974 |
277 |
2539 |
|
|
2 |
A1 |
3154 |
3054 |
0.968 |
277 |
2540 |
|
|
3 |
A1 |
3132 |
3031 |
0.968 |
277 |
2541 |
|
|
4 |
A1 |
1591 |
1586 |
0.997 |
277 |
2542 |
|
|
5 |
A1 |
1477 |
1483 |
1.004 |
277 |
2543 |
|
|
6 |
A1 |
1177 |
1174 |
0.998 |
277 |
2544 |
|
|
7 |
A1 |
1073 |
1092 |
1.017 |
277 |
2545 |
|
|
8 |
A1 |
1022 |
1025 |
1.003 |
277 |
2546 |
|
|
9 |
A1 |
992 |
1003 |
1.011 |
277 |
2547 |
|
|
10 |
A1 |
692 |
706 |
1.020 |
277 |
2548 |
|
|
11 |
A1 |
405 |
417 |
1.029 |
277 |
2549 |
|
|
12 |
A2 |
939 |
961 |
1.024 |
277 |
2550 |
|
|
13 |
A2 |
808 |
832 |
1.030 |
277 |
2551 |
|
|
14 |
A2 |
402 |
403 |
1.003 |
277 |
2552 |
|
|
15 |
B1 |
960 |
981 |
1.022 |
277 |
2553 |
|
|
16 |
B1 |
879 |
902 |
1.027 |
277 |
2554 |
|
|
17 |
B1 |
724 |
741 |
1.023 |
277 |
2555 |
|
|
18 |
B1 |
673 |
685 |
1.017 |
277 |
2556 |
|
|
19 |
B1 |
463 |
467 |
1.009 |
277 |
2557 |
|
|
20 |
B1 |
179 |
198 |
1.104 |
277 |
2558 |
|
|
21 |
B2 |
3165 |
3098 |
0.979 |
277 |
2559 |
|
|
22 |
B2 |
3141 |
3067 |
0.977 |
277 |
2560 |
|
|
23 |
B2 |
1593 |
1598 |
1.003 |
277 |
2561 |
|
|
24 |
B2 |
1447 |
1448 |
1.001 |
277 |
2562 |
|
|
25 |
B2 |
1347 |
1326 |
0.985 |
277 |
2563 |
|
|
26 |
B2 |
1303 |
1271 |
0.975 |
277 |
2564 |
|
|
27 |
B2 |
1163 |
1157 |
0.995 |
277 |
2565 |
|
|
28 |
B2 |
1078 |
1068 |
0.991 |
277 |
2566 |
|
|
29 |
B2 |
613 |
615 |
1.004 |
277 |
2567 |
|
|
30 |
B2 |
296 |
295 |
0.998 |
277 |
2568 |
C5H8 |
1,3-Butadiene, 2-methyl- |
1 |
A' |
3195 |
3095 |
0.969 |
278 |
2569 |
|
|
2 |
A' |
3186 |
3095 |
0.971 |
278 |
2570 |
|
|
3 |
A' |
3111 |
3000 |
0.964 |
278 |
2571 |
|
|
4 |
A' |
3099 |
3000 |
0.968 |
278 |
2572 |
|
|
5 |
A' |
3092 |
3000 |
0.970 |
278 |
2573 |
|
|
6 |
A' |
3082 |
2984 |
0.968 |
278 |
2574 |
|
|
7 |
A' |
2983 |
2904 |
0.974 |
278 |
2575 |
|
|
8 |
A' |
1654 |
1638 |
0.990 |
278 |
2576 |
|
|
9 |
A' |
1619 |
1607 |
0.993 |
278 |
2577 |
|
|
10 |
A' |
1481 |
1464 |
0.988 |
278 |
2578 |
|
|
11 |
A' |
1434 |
1420 |
0.990 |
278 |
2579 |
|
|
12 |
A' |
1405 |
1389 |
0.988 |
278 |
2580 |
|
|
13 |
A' |
1386 |
1363 |
0.983 |
278 |
2581 |
|
|
14 |
A' |
1307 |
1313 |
1.004 |
278 |
2582 |
|
|
15 |
A' |
1301 |
1303 |
1.002 |
278 |
2583 |
|
|
16 |
A' |
1070 |
1072 |
1.002 |
278 |
2584 |
|
|
17 |
A' |
995 |
1012 |
1.017 |
278 |
2585 |
|
|
18 |
A' |
948 |
953 |
1.006 |
278 |
2586 |
|
|
19 |
A' |
783 |
770 |
0.984 |
278 |
2587 |
|
|
20 |
A' |
527 |
530 |
1.006 |
278 |
2588 |
|
|
21 |
A' |
423 |
396 |
0.936 |
278 |
2589 |
|
|
22 |
A' |
284 |
196 |
0.691 |
278 |
2590 |
|
|
23 |
A" |
3042 |
2949 |
0.969 |
278 |
2591 |
|
|
24 |
A" |
1460 |
1451 |
0.994 |
278 |
2592 |
|
|
25 |
A" |
1045 |
1034 |
0.989 |
278 |
2593 |
|
|
26 |
A" |
991 |
991 |
1.000 |
278 |
2594 |
|
|
27 |
A" |
887 |
907 |
1.022 |
278 |
2595 |
|
|
28 |
A" |
877 |
907 |
1.034 |
278 |
2596 |
|
|
29 |
A" |
758 |
757 |
0.999 |
278 |
2597 |
|
|
30 |
A" |
619 |
615 |
0.993 |
278 |
2598 |
|
|
31 |
A" |
394 |
290 |
0.736 |
278 |
2599 |
|
|
32 |
A" |
201 |
153 |
0.761 |
278 |
2600 |
C5H8 |
Cyclopentene |
1 |
A' |
3159 |
3066 |
0.971 |
279 |
2601 |
|
|
2 |
A' |
3058 |
2958 |
0.967 |
279 |
2602 |
|
|
3 |
A' |
3018 |
2916 |
0.966 |
279 |
2603 |
|
|
4 |
A' |
2997 |
2902 |
0.968 |
279 |
2604 |
|
|
5 |
A' |
2954 |
2852 |
0.966 |
279 |
2605 |
|
|
6 |
A' |
1637 |
1616 |
0.987 |
279 |
2606 |
|
|
7 |
A' |
1480 |
1467 |
0.991 |
279 |
2607 |
|
|
8 |
A' |
1455 |
1449 |
0.996 |
279 |
2608 |
|
|
9 |
A' |
1297 |
1302 |
1.004 |
279 |
2609 |
|
|
10 |
A' |
1204 |
1284 |
1.066 |
279 |
2610 |
|
|
11 |
A' |
1106 |
1213 |
1.096 |
279 |
2611 |
|
|
12 |
A' |
1045 |
1048 |
1.003 |
279 |
2612 |
|
|
13 |
A' |
957 |
964 |
1.008 |
279 |
2613 |
|
|
14 |
A' |
886 |
962 |
1.086 |
279 |
2614 |
|
|
15 |
A' |
808 |
904 |
1.119 |
279 |
2615 |
|
|
16 |
A' |
690 |
692 |
1.003 |
279 |
2616 |
|
|
17 |
A' |
593 |
603 |
1.018 |
279 |
2617 |
|
|
18 |
A' |
143 |
254 |
1.777 |
279 |
2618 |
|
|
19 |
A" |
3134 |
3039 |
0.970 |
279 |
2619 |
|
|
20 |
A" |
3010 |
2967 |
0.986 |
279 |
2620 |
|
|
21 |
A" |
2955 |
2927 |
0.991 |
279 |
2621 |
|
|
22 |
A" |
1460 |
1467 |
1.005 |
279 |
2622 |
|
|
23 |
A" |
1350 |
1432 |
1.061 |
279 |
2623 |
|
|
24 |
A" |
1293 |
1356 |
1.049 |
279 |
2624 |
|
|
25 |
A" |
1276 |
1302 |
1.020 |
279 |
2625 |
|
|
26 |
A" |
1195 |
1297 |
1.085 |
279 |
2626 |
|
|
27 |
A" |
1125 |
1207 |
1.073 |
279 |
2627 |
|
|
28 |
A" |
1017 |
1113 |
1.095 |
279 |
2628 |
|
|
29 |
A" |
929 |
1082 |
1.165 |
279 |
2629 |
|
|
30 |
A" |
902 |
937 |
1.039 |
279 |
2630 |
|
|
31 |
A" |
874 |
800 |
0.915 |
279 |
2631 |
|
|
32 |
A" |
763 |
702 |
0.921 |
279 |
2632 |
|
|
33 |
A" |
380 |
387 |
1.017 |
279 |
2633 |
C5H8 |
1,2-Butadiene, 3-methyl- |
1 |
A1 |
3088 |
2987 |
0.967 |
280 |
2634 |
|
|
2 |
A1 |
3067 |
2941 |
0.959 |
280 |
2635 |
|
|
3 |
A1 |
2972 |
2916 |
0.981 |
280 |
2636 |
|
|
4 |
A1 |
2011 |
1996 |
0.992 |
280 |
2637 |
|
|
5 |
A1 |
1487 |
1470 |
0.989 |
280 |
2638 |
|
|
6 |
A1 |
1445 |
1438 |
0.995 |
280 |
2639 |
|
|
7 |
A1 |
1386 |
1369 |
0.987 |
280 |
2640 |
|
|
8 |
A1 |
1290 |
1286 |
0.997 |
280 |
2641 |
|
|
9 |
A1 |
1008 |
973 |
0.965 |
280 |
2642 |
|
|
10 |
A1 |
722 |
726 |
1.005 |
280 |
2643 |
|
|
11 |
A1 |
339 |
349 |
1.031 |
280 |
2644 |
|
|
12 |
A2 |
3025 |
2941 |
0.972 |
280 |
2645 |
|
|
13 |
A2 |
1450 |
1470 |
1.014 |
280 |
2646 |
|
|
14 |
A2 |
982 |
985 |
1.003 |
280 |
2647 |
|
|
15 |
A2 |
595 |
617 |
1.038 |
280 |
2648 |
|
|
17 |
B1 |
3136 |
3051 |
0.973 |
280 |
2649 |
|
|
18 |
B1 |
3026 |
2941 |
0.972 |
280 |
2650 |
|
|
19 |
B1 |
1468 |
1470 |
1.002 |
280 |
2651 |
|
|
20 |
B1 |
1071 |
1068 |
0.997 |
280 |
2652 |
|
|
21 |
B1 |
1001 |
1004 |
1.003 |
280 |
2653 |
|
|
22 |
B1 |
443 |
443 |
1.001 |
280 |
2654 |
|
|
23 |
B1 |
253 |
187 |
0.740 |
280 |
2655 |
|
|
25 |
B2 |
3088 |
2941 |
0.953 |
280 |
2656 |
|
|
26 |
B2 |
2967 |
2916 |
0.983 |
280 |
2657 |
|
|
27 |
B2 |
1457 |
1470 |
1.009 |
280 |
2658 |
|
|
28 |
B2 |
1370 |
1369 |
1.000 |
280 |
2659 |
|
|
29 |
B2 |
1180 |
1191 |
1.010 |
280 |
2660 |
|
|
30 |
B2 |
948 |
968 |
1.021 |
280 |
2661 |
|
|
31 |
B2 |
831 |
848 |
1.020 |
280 |
2662 |
|
|
32 |
B2 |
589 |
554 |
0.941 |
280 |
2663 |
|
|
33 |
B2 |
175 |
187 |
1.071 |
280 |
2664 |
C5H8 |
1,3-Pentadiene, (E)- |
1 |
A' |
3191 |
3090 |
0.968 |
281 |
2665 |
|
|
2 |
A' |
3100 |
3015 |
0.973 |
281 |
2666 |
|
|
3 |
A' |
3093 |
3015 |
0.975 |
281 |
2667 |
|
|
4 |
A' |
3085 |
3015 |
0.977 |
281 |
2668 |
|
|
5 |
A' |
3079 |
3015 |
0.979 |
281 |
2669 |
|
|
6 |
A' |
3060 |
2940 |
0.961 |
281 |
2670 |
|
|
7 |
A' |
2964 |
2919 |
0.985 |
281 |
2671 |
|
|
8 |
A' |
1673 |
1661 |
0.993 |
281 |
2672 |
|
|
9 |
A' |
1626 |
1610 |
0.990 |
281 |
2673 |
|
|
10 |
A' |
1466 |
1433 |
0.978 |
281 |
2674 |
|
|
11 |
A' |
1427 |
1422 |
0.996 |
281 |
2675 |
|
|
12 |
A' |
1386 |
1385 |
1.000 |
281 |
2676 |
|
|
13 |
A' |
1310 |
1316 |
1.005 |
281 |
2677 |
|
|
14 |
A' |
1292 |
1299 |
1.005 |
281 |
2678 |
|
|
15 |
A' |
1273 |
1280 |
1.005 |
281 |
2679 |
|
|
16 |
A' |
1191 |
1166 |
0.979 |
281 |
2680 |
|
|
17 |
A' |
1082 |
1037 |
0.959 |
281 |
2681 |
|
|
18 |
A' |
973 |
985 |
1.012 |
281 |
2682 |
|
|
19 |
A' |
894 |
862 |
0.964 |
281 |
2683 |
|
|
20 |
A' |
476 |
483 |
1.015 |
281 |
2684 |
|
|
21 |
A' |
448 |
418 |
0.934 |
281 |
2685 |
|
|
22 |
A' |
193 |
212 |
1.099 |
281 |
2686 |
|
|
23 |
A" |
3015 |
2971 |
0.985 |
281 |
2687 |
|
|
24 |
A" |
1452 |
1453 |
1.001 |
281 |
2688 |
|
|
25 |
A" |
1033 |
1017 |
0.985 |
281 |
2689 |
|
|
26 |
A" |
1013 |
1002 |
0.989 |
281 |
2690 |
|
|
27 |
A" |
943 |
912 |
0.967 |
281 |
2691 |
|
|
28 |
A" |
877 |
899 |
1.025 |
281 |
2692 |
|
|
29 |
A" |
813 |
820 |
1.009 |
281 |
2693 |
|
|
30 |
A" |
626 |
615 |
0.982 |
281 |
2694 |
|
|
33 |
A" |
129 |
129 |
0.997 |
281 |
2695 |
C5H8 |
Spiropentane |
1 |
A1 |
3068 |
3000 |
0.978 |
282 |
2696 |
|
|
2 |
A1 |
1471 |
1423 |
0.968 |
282 |
2697 |
|
|
3 |
A1 |
1056 |
1160 |
1.098 |
282 |
2698 |
|
|
4 |
A1 |
1033 |
1037 |
1.004 |
282 |
2699 |
|
|
5 |
A1 |
602 |
588 |
0.976 |
282 |
2700 |
|
|
6 |
A2 |
3143 |
3070 |
0.977 |
282 |
2701 |
|
|
7 |
A2 |
1145 |
1174 |
1.026 |
282 |
2702 |
|
|
8 |
A2 |
821 |
919 |
1.119 |
282 |
2703 |
|
|
9 |
B1 |
3142 |
3066 |
0.976 |
282 |
2704 |
|
|
10 |
B1 |
1157 |
1166 |
1.008 |
282 |
2705 |
|
|
11 |
B1 |
1005 |
888 |
0.884 |
282 |
2706 |
|
|
12 |
B1 |
285 |
300 |
1.053 |
282 |
2707 |
|
|
13 |
B2 |
3066 |
3000 |
0.978 |
282 |
2708 |
|
|
14 |
B2 |
1550 |
1521 |
0.981 |
282 |
2709 |
|
|
15 |
B2 |
1413 |
1415 |
1.001 |
282 |
2710 |
|
|
16 |
B2 |
985 |
990 |
1.005 |
282 |
2711 |
|
|
17 |
B2 |
892 |
872 |
0.978 |
282 |
2712 |
|
|
18 |
E |
3156 |
3067 |
0.972 |
282 |
2713 |
|
|
19 |
E |
3064 |
2985 |
0.974 |
282 |
2714 |
|
|
20 |
E |
1440 |
1431 |
0.994 |
282 |
2715 |
|
|
21 |
E |
1158 |
1150 |
0.993 |
282 |
2716 |
|
|
22 |
E |
1043 |
1049 |
1.006 |
282 |
2717 |
|
|
23 |
E |
882 |
870 |
0.986 |
282 |
2718 |
|
|
24 |
E |
776 |
780 |
1.005 |
282 |
2719 |
|
|
25 |
E |
298 |
308 |
1.033 |
282 |
2720 |
N(CH3)3 |
Trimethylamine |
1 |
A1 |
3018 |
2953 |
0.978 |
283 |
2721 |
|
|
2 |
A1 |
2862 |
2775 |
0.970 |
283 |
2722 |
|
|
3 |
A1 |
1479 |
1459 |
0.986 |
283 |
2723 |
|
|
4 |
A1 |
1457 |
1444 |
0.991 |
283 |
2724 |
|
|
5 |
A1 |
1180 |
1186 |
1.005 |
283 |
2725 |
|
|
6 |
A1 |
814 |
828 |
1.018 |
283 |
2726 |
|
|
7 |
A1 |
369 |
367 |
0.994 |
283 |
2727 |
|
|
8 |
A2 |
3064 |
2977 |
0.971 |
283 |
2728 |
|
|
9 |
A2 |
1462 |
1453 |
0.994 |
283 |
2729 |
|
|
10 |
A2 |
1049 |
1046 |
0.998 |
283 |
2730 |
|
|
11 |
A2 |
250 |
255 |
1.019 |
283 |
2731 |
|
|
12 |
E |
3068 |
2981 |
0.972 |
283 |
2732 |
|
|
13 |
E |
3015 |
2953 |
0.980 |
283 |
2733 |
|
|
14 |
E |
2841 |
2776 |
0.977 |
283 |
2734 |
|
|
15 |
E |
1485 |
1471 |
0.990 |
283 |
2735 |
|
|
16 |
E |
1456 |
1444 |
0.992 |
283 |
2736 |
|
|
17 |
E |
1414 |
1409 |
0.996 |
283 |
2737 |
|
|
18 |
E |
1275 |
1275 |
1.000 |
283 |
2738 |
|
|
19 |
E |
1099 |
1103 |
1.004 |
283 |
2739 |
|
|
20 |
E |
1036 |
1043 |
1.007 |
283 |
2740 |
|
|
21 |
E |
419 |
424 |
1.010 |
283 |
2741 |
|
|
22 |
E |
275 |
281 |
1.022 |
283 |
2742 |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
1 |
A' |
3073 |
2974 |
0.968 |
284 |
2743 |
|
|
2 |
A' |
3064 |
2953 |
0.964 |
284 |
2744 |
|
|
3 |
A' |
3024 |
2940 |
0.972 |
284 |
2745 |
|
|
4 |
A' |
2985 |
2876 |
0.963 |
284 |
2746 |
|
|
5 |
A' |
2787 |
2757 |
0.989 |
284 |
2747 |
|
|
6 |
A' |
1753 |
1752 |
1.000 |
284 |
2748 |
|
|
7 |
A' |
1490 |
1474 |
0.990 |
284 |
2749 |
|
|
8 |
A' |
1480 |
1449 |
0.979 |
284 |
2750 |
|
|
9 |
A' |
1400 |
1399 |
0.999 |
284 |
2751 |
|
|
10 |
A' |
1381 |
1381 |
1.000 |
284 |
2752 |
|
|
11 |
A' |
1287 |
1329 |
1.033 |
284 |
2753 |
|
|
12 |
A' |
1157 |
1182 |
1.021 |
284 |
2754 |
|
|
13 |
A' |
1153 |
1138 |
0.987 |
284 |
2755 |
|
|
14 |
A' |
897 |
922 |
1.028 |
284 |
2756 |
|
|
15 |
A' |
830 |
800 |
0.964 |
284 |
2757 |
|
|
16 |
A' |
533 |
632 |
1.185 |
284 |
2758 |
|
|
17 |
A' |
350 |
395 |
1.129 |
284 |
2759 |
|
|
18 |
A' |
330 |
272 |
0.825 |
284 |
2760 |
|
|
19 |
A' |
229 |
212 |
0.925 |
284 |
2761 |
|
|
20 |
A" |
3072 |
2990 |
0.973 |
284 |
2762 |
|
|
21 |
A" |
3058 |
2982 |
0.975 |
284 |
2763 |
|
|
22 |
A" |
2982 |
2885 |
0.967 |
284 |
2764 |
|
|
23 |
A" |
1467 |
1467 |
1.000 |
284 |
2765 |
|
|
24 |
A" |
1465 |
1452 |
0.991 |
284 |
2766 |
|
|
25 |
A" |
1373 |
1437 |
1.047 |
284 |
2767 |
|
|
26 |
A" |
1313 |
1290 |
0.982 |
284 |
2768 |
|
|
27 |
A" |
1103 |
1109 |
1.006 |
284 |
2769 |
|
|
28 |
A" |
962 |
965 |
1.003 |
284 |
2770 |
|
|
29 |
A" |
935 |
942 |
1.007 |
284 |
2771 |
|
|
30 |
A" |
915 |
933 |
1.020 |
284 |
2772 |
|
|
31 |
A" |
326 |
351 |
1.078 |
284 |
2773 |
|
|
32 |
A" |
204 |
227 |
1.115 |
284 |
2774 |
|
|
33 |
A" |
59 |
75 |
1.271 |
284 |
2775 |
CH3COCH2CH3 |
2-Butanone |
1 |
A' |
3112 |
2983 |
0.958 |
285 |
2776 |
|
|
2 |
A' |
3078 |
2983 |
0.969 |
285 |
2777 |
|
|
3 |
A' |
3002 |
2910 |
0.969 |
285 |
2778 |
|
|
4 |
A' |
2987 |
2910 |
0.974 |
285 |
2779 |
|
|
5 |
A' |
2966 |
2884 |
0.972 |
285 |
2780 |
|
|
6 |
A' |
1735 |
1716 |
0.989 |
285 |
2781 |
|
|
7 |
A' |
1477 |
1460 |
0.989 |
285 |
2782 |
|
|
8 |
A' |
1443 |
1422 |
0.986 |
285 |
2783 |
|
|
9 |
A' |
1424 |
1413 |
0.993 |
285 |
2784 |
|
|
10 |
A' |
1388 |
1373 |
0.989 |
285 |
2785 |
|
|
11 |
A' |
1355 |
1346 |
0.993 |
285 |
2786 |
|
|
12 |
A' |
1338 |
1263 |
0.944 |
285 |
2787 |
|
|
13 |
A' |
1159 |
1182 |
1.020 |
285 |
2788 |
|
|
14 |
A' |
1085 |
1089 |
1.004 |
285 |
2789 |
|
|
15 |
A' |
984 |
997 |
1.013 |
285 |
2790 |
|
|
16 |
A' |
916 |
939 |
1.025 |
285 |
2791 |
|
|
17 |
A' |
741 |
760 |
1.025 |
285 |
2792 |
|
|
18 |
A' |
573 |
590 |
1.030 |
285 |
2793 |
|
|
19 |
A' |
399 |
413 |
1.036 |
285 |
2794 |
|
|
20 |
A' |
244 |
260 |
1.066 |
285 |
2795 |
|
|
21 |
A" |
3086 |
2983 |
0.967 |
285 |
2796 |
|
|
22 |
A" |
3054 |
2983 |
0.977 |
285 |
2797 |
|
|
23 |
A" |
2999 |
2941 |
0.981 |
285 |
2798 |
|
|
24 |
A" |
1471 |
1460 |
0.993 |
285 |
2799 |
|
|
25 |
A" |
1453 |
1413 |
0.972 |
285 |
2800 |
|
|
26 |
A" |
1256 |
1263 |
1.006 |
285 |
2801 |
|
|
27 |
A" |
1103 |
1108 |
1.004 |
285 |
2802 |
|
|
28 |
A" |
929 |
952 |
1.025 |
285 |
2803 |
|
|
29 |
A" |
736 |
768 |
1.043 |
285 |
2804 |
|
|
30 |
A" |
460 |
460 |
1.001 |
285 |
2805 |
|
|
31 |
A" |
204 |
201 |
0.986 |
285 |
2806 |
|
|
32 |
A" |
86 |
106 |
1.227 |
285 |
2807 |
|
|
33 |
A" |
68i |
87 |
-1.273 |
285 |
2808 |
C4H8O |
Cyclobutanol |
1 |
A' |
3730 |
3656 |
0.980 |
286 |
2809 |
|
|
2 |
A' |
3080 |
2993 |
0.972 |
286 |
2810 |
|
|
3 |
A' |
3062 |
2979 |
0.973 |
286 |
2811 |
|
|
4 |
A' |
3031 |
2968 |
0.979 |
286 |
2812 |
|
|
5 |
A' |
3018 |
2943 |
0.975 |
286 |
2813 |
|
|
6 |
A' |
2997 |
2875 |
0.959 |
286 |
2814 |
|
|
7 |
A' |
1486 |
1469 |
0.989 |
286 |
2815 |
|
|
8 |
A' |
1463 |
1450 |
0.991 |
286 |
2816 |
|
|
9 |
A' |
1401 |
1393 |
0.994 |
286 |
2817 |
|
|
10 |
A' |
1296 |
1278 |
0.986 |
286 |
2818 |
|
|
11 |
A' |
1234 |
1241 |
1.006 |
286 |
2819 |
|
|
12 |
A' |
1187 |
1120 |
0.944 |
286 |
2820 |
|
|
13 |
A' |
1093 |
1097 |
1.004 |
286 |
2821 |
|
|
14 |
A' |
1061 |
1071 |
1.009 |
286 |
2822 |
|
|
15 |
A' |
952 |
963 |
1.012 |
286 |
2823 |
|
|
16 |
A' |
885 |
825 |
0.932 |
286 |
2824 |
|
|
17 |
A' |
739 |
750 |
1.014 |
286 |
2825 |
|
|
18 |
A' |
596 |
602 |
1.011 |
286 |
2826 |
|
|
19 |
A' |
451 |
457 |
1.014 |
286 |
2827 |
|
|
20 |
A' |
171 |
170 |
0.993 |
286 |
2828 |
|
|
21 |
A" |
3062 |
2979 |
0.973 |
286 |
2829 |
|
|
22 |
A" |
2992 |
2964 |
0.990 |
286 |
2830 |
|
|
23 |
A" |
1448 |
1438 |
0.993 |
286 |
2831 |
|
|
24 |
A" |
1262 |
1211 |
0.960 |
286 |
2832 |
|
|
25 |
A" |
1222 |
1199 |
0.981 |
286 |
2833 |
|
|
26 |
A" |
1215 |
1160 |
0.954 |
286 |
2834 |
|
|
27 |
A" |
1159 |
1029 |
0.888 |
286 |
2835 |
|
|
28 |
A" |
1016 |
958 |
0.943 |
286 |
2836 |
|
|
29 |
A" |
921 |
927 |
1.007 |
286 |
2837 |
|
|
30 |
A" |
896 |
902 |
1.007 |
286 |
2838 |
|
|
31 |
A" |
774 |
781 |
1.008 |
286 |
2839 |
|
|
32 |
A" |
393 |
380 |
0.968 |
286 |
2840 |
|
|
33 |
A" |
303 |
243 |
0.802 |
286 |
2841 |
CH3CH(CH3)CH3 |
Isobutane |
1 |
A1 |
3050 |
2965 |
0.972 |
287 |
2842 |
|
|
2 |
A1 |
2976 |
2904 |
0.976 |
287 |
2843 |
|
|
3 |
A1 |
2955 |
2880 |
0.975 |
287 |
2844 |
|
|
4 |
A1 |
1491 |
1477 |
0.991 |
287 |
2845 |
|
|
5 |
A1 |
1404 |
1394 |
0.993 |
287 |
2846 |
|
|
6 |
A1 |
1185 |
1177 |
0.993 |
287 |
2847 |
|
|
7 |
A1 |
784 |
797 |
1.017 |
287 |
2848 |
|
|
8 |
A1 |
433 |
426 |
0.985 |
287 |
2849 |
|
|
9 |
A2 |
3049 |
|
|
287 |
2850 |
|
|
10 |
A2 |
1457 |
|
|
287 |
2851 |
|
|
11 |
A2 |
936 |
|
|
287 |
2852 |
|
|
12 |
A2 |
200 |
198 |
0.991 |
287 |
2853 |
|
|
13 |
E |
3054 |
2962 |
0.970 |
287 |
2854 |
|
|
14 |
E |
3040 |
2951 |
0.971 |
287 |
2855 |
|
|
15 |
E |
2968 |
2887 |
0.973 |
287 |
2856 |
|
|
16 |
E |
1484 |
1468 |
0.989 |
287 |
2857 |
|
|
17 |
E |
1464 |
1459 |
0.997 |
287 |
2858 |
|
|
18 |
E |
1373 |
1371 |
0.998 |
287 |
2859 |
|
|
19 |
E |
1327 |
1330 |
1.002 |
287 |
2860 |
|
|
20 |
E |
1168 |
1166 |
0.999 |
287 |
2861 |
|
|
21 |
E |
954 |
961 |
1.008 |
287 |
2862 |
|
|
22 |
E |
906 |
918 |
1.013 |
287 |
2863 |
|
|
23 |
E |
359 |
367 |
1.022 |
287 |
2864 |
|
|
24 |
E |
253 |
280 |
1.108 |
287 |
2865 |
CH3CH2CH2CH3 |
Butane |
1 |
Ag |
3055 |
2965 |
0.971 |
288 |
2866 |
|
|
2 |
Ag |
2978 |
2872 |
0.964 |
288 |
2867 |
|
|
3 |
Ag |
2960 |
2853 |
0.964 |
288 |
2868 |
|
|
4 |
Ag |
1481 |
1460 |
0.986 |
288 |
2869 |
|
|
5 |
Ag |
1464 |
1442 |
0.985 |
288 |
2870 |
|
|
6 |
Ag |
1386 |
1382 |
0.997 |
288 |
2871 |
|
|
7 |
Ag |
1367 |
1361 |
0.995 |
288 |
2872 |
|
|
8 |
Ag |
1145 |
1151 |
1.006 |
288 |
2873 |
|
|
9 |
Ag |
1045 |
1059 |
1.013 |
288 |
2874 |
|
|
10 |
Ag |
825 |
837 |
1.014 |
288 |
2875 |
|
|
11 |
Ag |
421 |
425 |
1.010 |
288 |
2876 |
|
|
12 |
Au |
3052 |
2968 |
0.973 |
288 |
2877 |
|
|
13 |
Au |
3010 |
2930 |
0.973 |
288 |
2878 |
|
|
14 |
Au |
1477 |
1461 |
0.989 |
288 |
2879 |
|
|
15 |
Au |
1267 |
1257 |
0.992 |
288 |
2880 |
|
|
16 |
Au |
949 |
948 |
0.999 |
288 |
2881 |
|
|
17 |
Au |
726 |
731 |
1.007 |
288 |
2882 |
|
|
18 |
Au |
215 |
194 |
0.903 |
288 |
2883 |
|
|
19 |
Au |
119 |
102 |
0.855 |
288 |
2884 |
|
|
20 |
Bg |
3048 |
2965 |
0.973 |
288 |
2885 |
|
|
21 |
Bg |
2987 |
2912 |
0.975 |
288 |
2886 |
|
|
22 |
Bg |
1475 |
1460 |
0.990 |
288 |
2887 |
|
|
23 |
Bg |
1310 |
1300 |
0.992 |
288 |
2888 |
|
|
24 |
Bg |
1184 |
1180 |
0.996 |
288 |
2889 |
|
|
25 |
Bg |
803 |
803 |
1.000 |
288 |
2890 |
|
|
26 |
Bg |
252 |
225 |
0.892 |
288 |
2891 |
|
|
27 |
Bu |
3056 |
2968 |
0.971 |
288 |
2892 |
|
|
28 |
Bu |
2977 |
2870 |
0.964 |
288 |
2893 |
|
|
29 |
Bu |
2968 |
2853 |
0.961 |
288 |
2894 |
|
|
30 |
Bu |
1487 |
1461 |
0.982 |
288 |
2895 |
|
|
31 |
Bu |
1468 |
1461 |
0.995 |
288 |
2896 |
|
|
32 |
Bu |
1389 |
1379 |
0.993 |
288 |
2897 |
|
|
33 |
Bu |
1296 |
1290 |
0.995 |
288 |
2898 |
|
|
34 |
Bu |
999 |
1009 |
1.010 |
288 |
2899 |
|
|
35 |
Bu |
962 |
964 |
1.002 |
288 |
2900 |
|
|
36 |
Bu |
256 |
271 |
1.059 |
288 |
2901 |
C6H8 |
(E)-hexa-1,3,5-triene |
1 |
Ag |
3194 |
3085 |
0.966 |
289 |
2902 |
|
|
2 |
Ag |
3102 |
3054 |
0.985 |
289 |
2903 |
|
|
3 |
Ag |
3092 |
3054 |
0.988 |
289 |
2904 |
|
|
4 |
Ag |
3083 |
2989 |
0.969 |
289 |
2905 |
|
|
5 |
Ag |
1643 |
1627 |
0.990 |
289 |
2906 |
|
|
6 |
Ag |
1594 |
1579 |
0.991 |
289 |
2907 |
|
|
7 |
Ag |
1408 |
1400 |
0.995 |
289 |
2908 |
|
|
8 |
Ag |
1306 |
1288 |
0.986 |
289 |
2909 |
|
|
9 |
Ag |
1285 |
1220 |
0.949 |
289 |
2910 |
|
|
10 |
Ag |
1203 |
1192 |
0.991 |
289 |
2911 |
|
|
11 |
Ag |
932 |
934 |
1.003 |
289 |
2912 |
|
|
12 |
Ag |
439 |
444 |
1.012 |
289 |
2913 |
|
|
13 |
Ag |
346 |
355 |
1.025 |
289 |
2914 |
|
|
14 |
Au |
1022 |
1013 |
0.992 |
289 |
2915 |
|
|
15 |
Au |
925 |
941 |
1.017 |
289 |
2916 |
|
|
16 |
Au |
877 |
901 |
1.028 |
289 |
2917 |
|
|
17 |
Au |
682 |
683 |
1.001 |
289 |
2918 |
|
|
18 |
Au |
243 |
|
|
289 |
2919 |
|
|
19 |
Au |
94 |
90 |
0.960 |
289 |
2920 |
|
|
20 |
Bg |
986 |
988 |
1.002 |
289 |
2921 |
|
|
21 |
Bg |
882 |
928 |
1.052 |
289 |
2922 |
|
|
22 |
Bg |
861 |
872 |
1.013 |
289 |
2923 |
|
|
23 |
Bg |
593 |
|
|
289 |
2924 |
|
|
24 |
Bg |
223 |
217 |
0.973 |
289 |
2925 |
|
|
25 |
Bu |
3194 |
3099 |
0.970 |
289 |
2926 |
|
|
26 |
Bu |
3102 |
3045 |
0.982 |
289 |
2927 |
|
|
27 |
Bu |
3097 |
3019 |
0.975 |
289 |
2928 |
|
|
28 |
Bu |
3083 |
2953 |
0.958 |
289 |
2929 |
|
|
29 |
Bu |
1643 |
1629 |
0.991 |
289 |
2930 |
|
|
30 |
Bu |
1443 |
1432 |
0.992 |
289 |
2931 |
|
|
31 |
Bu |
1299 |
1295 |
0.997 |
289 |
2932 |
|
|
32 |
Bu |
1261 |
1255 |
0.995 |
289 |
2933 |
|
|
33 |
Bu |
1147 |
1186 |
1.034 |
289 |
2934 |
|
|
34 |
Bu |
965 |
963 |
0.998 |
289 |
2935 |
|
|
35 |
Bu |
535 |
590 |
1.103 |
289 |
2936 |
|
|
36 |
Bu |
143 |
170 |
1.189 |
289 |
2937 |
C4H9N |
Pyrrolidine |
1 |
A' |
3476 |
3356 |
0.965 |
290 |
2938 |
|
|
2 |
A' |
3075 |
2975 |
0.967 |
290 |
2939 |
|
|
3 |
A' |
3036 |
2927 |
0.964 |
290 |
2940 |
|
|
4 |
A' |
3021 |
2889 |
0.956 |
290 |
2941 |
|
|
5 |
A' |
2868 |
2824 |
0.985 |
290 |
2942 |
|
|
6 |
A' |
1505 |
1484 |
0.986 |
290 |
2943 |
|
|
7 |
A' |
1481 |
1447 |
0.977 |
290 |
2944 |
|
|
8 |
A' |
1363 |
1292 |
0.948 |
290 |
2945 |
|
|
9 |
A' |
1291 |
1273 |
0.986 |
290 |
2946 |
|
|
10 |
A' |
1219 |
1228 |
1.007 |
290 |
2947 |
|
|
11 |
A' |
1199 |
1181 |
0.985 |
290 |
2948 |
|
|
12 |
A' |
1046 |
974 |
0.931 |
290 |
2949 |
|
|
13 |
A' |
987 |
920 |
0.933 |
290 |
2950 |
|
|
14 |
A' |
922 |
901 |
0.977 |
290 |
2951 |
|
|
15 |
A' |
881 |
871 |
0.989 |
290 |
2952 |
|
|
16 |
A' |
855 |
832 |
0.973 |
290 |
2953 |
|
|
17 |
A' |
753 |
789 |
1.048 |
290 |
2954 |
|
|
18 |
A' |
571 |
579 |
1.013 |
290 |
2955 |
|
|
19 |
A' |
301 |
299 |
0.993 |
290 |
2956 |
|
|
20 |
A" |
3055 |
2967 |
0.971 |
290 |
2957 |
|
|
21 |
A" |
3030 |
2916 |
0.962 |
290 |
2958 |
|
|
22 |
A" |
3012 |
2879 |
0.956 |
290 |
2959 |
|
|
23 |
A" |
2862 |
2818 |
0.984 |
290 |
2960 |
|
|
24 |
A" |
1485 |
1459 |
0.982 |
290 |
2961 |
|
|
25 |
A" |
1461 |
1412 |
0.966 |
290 |
2962 |
|
|
26 |
A" |
1405 |
1341 |
0.954 |
290 |
2963 |
|
|
27 |
A" |
1298 |
1268 |
0.977 |
290 |
2964 |
|
|
28 |
A" |
1278 |
1211 |
0.947 |
290 |
2965 |
|
|
29 |
A" |
1221 |
1203 |
0.985 |
290 |
2966 |
|
|
30 |
A" |
1175 |
1171 |
0.996 |
290 |
2967 |
|
|
31 |
A" |
1107 |
1099 |
0.993 |
290 |
2968 |
|
|
32 |
A" |
1080 |
1023 |
0.947 |
290 |
2969 |
|
|
33 |
A" |
912 |
883 |
0.968 |
290 |
2970 |
|
|
34 |
A" |
858 |
848 |
0.988 |
290 |
2971 |
|
|
35 |
A" |
625 |
600 |
0.961 |
290 |
2972 |
|
|
36 |
A" |
79 |
65 |
0.818 |
290 |
2973 |
C4H9N |
Cyclobutylamine |
1 |
A' |
3424 |
3345 |
0.977 |
291 |
2974 |
|
|
2 |
A' |
3087 |
2975 |
0.964 |
291 |
2975 |
|
|
3 |
A' |
3056 |
2950 |
0.965 |
291 |
2976 |
|
|
4 |
A' |
3022 |
2918 |
0.965 |
291 |
2977 |
|
|
5 |
A' |
3006 |
2905 |
0.966 |
291 |
2978 |
|
|
6 |
A' |
2909 |
2887 |
0.992 |
291 |
2979 |
|
|
7 |
A' |
1633 |
1614 |
0.988 |
291 |
2980 |
|
|
8 |
A' |
1476 |
1467 |
0.994 |
291 |
2981 |
|
|
9 |
A' |
1450 |
1443 |
0.995 |
291 |
2982 |
|
|
10 |
A' |
1348 |
1390 |
1.031 |
291 |
2983 |
|
|
11 |
A' |
1260 |
1291 |
1.025 |
291 |
2984 |
|
|
12 |
A' |
1216 |
1237 |
1.017 |
291 |
2985 |
|
|
13 |
A' |
1132 |
1137 |
1.004 |
291 |
2986 |
|
|
14 |
A' |
1056 |
1120 |
1.061 |
291 |
2987 |
|
|
15 |
A' |
938 |
1050 |
1.119 |
291 |
2988 |
|
|
16 |
A' |
868 |
965 |
1.112 |
291 |
2989 |
|
|
17 |
A' |
834 |
788 |
0.945 |
291 |
2990 |
|
|
18 |
A' |
794 |
752 |
0.947 |
291 |
2991 |
|
|
19 |
A' |
659 |
606 |
0.919 |
291 |
2992 |
|
|
20 |
A' |
400 |
448 |
1.121 |
291 |
2993 |
|
|
21 |
A' |
149 |
174 |
1.170 |
291 |
2994 |
|
|
22 |
A" |
3519 |
3411 |
0.969 |
291 |
2995 |
|
|
23 |
A" |
3062 |
2970 |
0.970 |
291 |
2996 |
|
|
24 |
A" |
3002 |
2957 |
0.985 |
291 |
2997 |
|
|
25 |
A" |
1442 |
1452 |
1.007 |
291 |
2998 |
|
|
26 |
A" |
1312 |
1213 |
0.924 |
291 |
2999 |
|
|
27 |
A" |
1245 |
1185 |
0.952 |
291 |
3000 |
|
|
28 |
A" |
1232 |
1168 |
0.948 |
291 |
3001 |
|
|
29 |
A" |
1196 |
1036 |
0.866 |
291 |
3002 |
|
|
30 |
A" |
1144 |
|
|
291 |
3003 |
|
|
31 |
A" |
1012 |
925 |
0.914 |
291 |
3004 |
|
|
32 |
A" |
924 |
912 |
0.987 |
291 |
3005 |
|
|
33 |
A" |
900 |
883 |
0.981 |
291 |
3006 |
|
|
34 |
A" |
754 |
788 |
1.045 |
291 |
3007 |
|
|
35 |
A" |
387 |
354 |
0.915 |
291 |
3008 |
|
|
36 |
A" |
268 |
240 |
0.896 |
291 |
3009 |
C4H8O2 |
1,4-Dioxane |
1 |
Ag |
3053 |
2968 |
0.972 |
292 |
3010 |
|
|
2 |
Ag |
2932 |
2856 |
0.974 |
292 |
3011 |
|
|
3 |
Ag |
1463 |
1444 |
0.987 |
292 |
3012 |
|
|
4 |
Ag |
1386 |
1397 |
1.008 |
292 |
3013 |
|
|
5 |
Ag |
1298 |
1305 |
1.005 |
292 |
3014 |
|
|
6 |
Ag |
1118 |
1128 |
1.009 |
292 |
3015 |
|
|
7 |
Ag |
991 |
1015 |
1.024 |
292 |
3016 |
|
|
8 |
Ag |
819 |
837 |
1.022 |
292 |
3017 |
|
|
9 |
Ag |
430 |
435 |
1.012 |
292 |
3018 |
|
|
10 |
Ag |
409 |
424 |
1.036 |
292 |
3019 |
|
|
11 |
Au |
3051 |
2970 |
0.973 |
292 |
3020 |
|
|
12 |
Au |
2924 |
2863 |
0.979 |
292 |
3021 |
|
|
13 |
Au |
1452 |
1449 |
0.998 |
292 |
3022 |
|
|
14 |
Au |
1359 |
1369 |
1.008 |
292 |
3023 |
|
|
15 |
Au |
1250 |
1256 |
1.005 |
292 |
3024 |
|
|
16 |
Au |
1099 |
1136 |
1.034 |
292 |
3025 |
|
|
17 |
Au |
1081 |
1086 |
1.005 |
292 |
3026 |
|
|
18 |
Au |
869 |
881 |
1.013 |
292 |
3027 |
|
|
19 |
Au |
244 |
288 |
1.179 |
292 |
3028 |
|
|
20 |
Bg |
3052 |
2968 |
0.972 |
292 |
3029 |
|
|
21 |
Bg |
2936 |
2856 |
0.973 |
292 |
3030 |
|
|
22 |
Bg |
1451 |
1459 |
1.006 |
292 |
3031 |
|
|
23 |
Bg |
1327 |
1335 |
1.006 |
292 |
3032 |
|
|
24 |
Bg |
1209 |
1217 |
1.006 |
292 |
3033 |
|
|
25 |
Bg |
1090 |
1110 |
1.018 |
292 |
3034 |
|
|
26 |
Bg |
842 |
853 |
1.013 |
292 |
3035 |
|
|
27 |
Bg |
479 |
490 |
1.023 |
292 |
3036 |
|
|
28 |
Bu |
3052 |
2970 |
0.973 |
292 |
3037 |
|
|
29 |
Bu |
2941 |
2863 |
0.974 |
292 |
3038 |
|
|
30 |
Bu |
1458 |
1457 |
1.000 |
292 |
3039 |
|
|
31 |
Bu |
1373 |
1378 |
1.004 |
292 |
3040 |
|
|
32 |
Bu |
1286 |
1291 |
1.004 |
292 |
3041 |
|
|
33 |
Bu |
1038 |
1052 |
1.013 |
292 |
3042 |
|
|
34 |
Bu |
858 |
889 |
1.036 |
292 |
3043 |
|
|
35 |
Bu |
599 |
610 |
1.018 |
292 |
3044 |
|
|
36 |
Bu |
264 |
274 |
1.039 |
292 |
3045 |
C6H5CHO |
benzaldehyde |
1 |
A' |
3163 |
3099 |
0.980 |
293 |
3046 |
|
|
2 |
A' |
3155 |
3081 |
0.977 |
293 |
3047 |
|
|
3 |
A' |
3144 |
3081 |
0.980 |
293 |
3048 |
|
|
4 |
A' |
3133 |
3043 |
0.971 |
293 |
3049 |
|
|
5 |
A' |
3121 |
3034 |
0.972 |
293 |
3050 |
|
|
6 |
A' |
2827 |
2806 |
0.993 |
293 |
3051 |
|
|
7 |
A' |
1719 |
1728 |
1.005 |
293 |
3052 |
|
|
8 |
A' |
1607 |
1614 |
1.004 |
293 |
3053 |
|
|
9 |
A' |
1589 |
1603 |
1.009 |
293 |
3054 |
|
|
10 |
A' |
1491 |
1492 |
1.001 |
293 |
3055 |
|
|
11 |
A' |
1457 |
1460 |
1.002 |
293 |
3056 |
|
|
12 |
A' |
1397 |
1387 |
0.993 |
293 |
3057 |
|
|
13 |
A' |
1361 |
1314 |
0.966 |
293 |
3058 |
|
|
14 |
A' |
1311 |
1276 |
0.973 |
293 |
3059 |
|
|
15 |
A' |
1202 |
1202 |
1.000 |
293 |
3060 |
|
|
16 |
A' |
1170 |
1168 |
0.998 |
293 |
3061 |
|
|
17 |
A' |
1167 |
1158 |
0.992 |
293 |
3062 |
|
|
18 |
A' |
1084 |
1074 |
0.991 |
293 |
3063 |
|
|
19 |
A' |
1025 |
1026 |
1.001 |
293 |
3064 |
|
|
20 |
A' |
995 |
996 |
1.001 |
293 |
3065 |
|
|
21 |
A' |
822 |
825 |
1.004 |
293 |
3066 |
|
|
22 |
A' |
647 |
649 |
1.003 |
293 |
3067 |
|
|
23 |
A' |
616 |
617 |
1.001 |
293 |
3068 |
|
|
24 |
A' |
434 |
437 |
1.007 |
293 |
3069 |
|
|
25 |
A' |
217 |
224 |
1.034 |
293 |
3070 |
|
|
26 |
A" |
996 |
1003 |
1.007 |
293 |
3071 |
|
|
27 |
A" |
976 |
996 |
1.020 |
293 |
3072 |
|
|
28 |
A" |
960 |
978 |
1.019 |
293 |
3073 |
|
|
29 |
A" |
910 |
918 |
1.009 |
293 |
3074 |
|
|
30 |
A" |
836 |
852 |
1.019 |
293 |
3075 |
|
|
31 |
A" |
734 |
740 |
1.008 |
293 |
3076 |
|
|
32 |
A" |
676 |
688 |
1.017 |
293 |
3077 |
|
|
33 |
A" |
446 |
450 |
1.008 |
293 |
3078 |
|
|
34 |
A" |
403 |
400 |
0.993 |
293 |
3079 |
|
|
35 |
A" |
229 |
217 |
0.949 |
293 |
3080 |
|
|
36 |
A" |
115 |
111 |
0.963 |
293 |
3081 |
C5H10 |
2-Butene, 2-methyl- |
1 |
A' |
3088 |
3024 |
0.979 |
294 |
3082 |
|
|
2 |
A' |
3082 |
2972 |
0.964 |
294 |
3083 |
|
|
3 |
A' |
3067 |
2972 |
0.969 |
294 |
3084 |
|
|
4 |
A' |
3064 |
2972 |
0.970 |
294 |
3085 |
|
|
5 |
A' |
2970 |
2931 |
0.987 |
294 |
3086 |
|
|
6 |
A' |
2967 |
2908 |
0.980 |
294 |
3087 |
|
|
7 |
A' |
2959 |
2908 |
0.983 |
294 |
3088 |
|
|
8 |
A' |
1700 |
1681 |
0.989 |
294 |
3089 |
|
|
9 |
A' |
1474 |
1471 |
0.998 |
294 |
3090 |
|
|
10 |
A' |
1472 |
1453 |
0.987 |
294 |
3091 |
|
|
11 |
A' |
1456 |
1453 |
0.998 |
294 |
3092 |
|
|
25 |
A" |
3015 |
2972 |
0.986 |
294 |
3093 |
|
|
26 |
A" |
3015 |
2972 |
0.986 |
294 |
3094 |
|
|
27 |
A" |
3010 |
2972 |
0.987 |
294 |
3095 |
|
|
28 |
A" |
1467 |
1471 |
1.002 |
294 |
3096 |
|
|
29 |
A" |
1459 |
1471 |
1.008 |
294 |
3097 |
|
|
30 |
A" |
1447 |
1453 |
1.004 |
294 |
3098 |
C2H5SC2H5 |
Diethyl sulfide |
1 |
A1 |
3066 |
2967 |
0.968 |
295 |
3099 |
|
|
2 |
A1 |
2991 |
2874 |
0.961 |
295 |
3100 |
|
|
3 |
A1 |
2980 |
2853 |
0.957 |
295 |
3101 |
|
|
4 |
A1 |
1482 |
1450 |
0.978 |
295 |
3102 |
|
|
5 |
A1 |
1468 |
1427 |
0.972 |
295 |
3103 |
|
|
6 |
A1 |
1390 |
1380 |
0.993 |
295 |
3104 |
|
|
7 |
A1 |
1295 |
1270 |
0.980 |
295 |
3105 |
|
|
8 |
A1 |
1079 |
1047 |
0.970 |
295 |
3106 |
|
|
9 |
A1 |
978 |
974 |
0.996 |
295 |
3107 |
|
|
10 |
A1 |
669 |
657 |
0.982 |
295 |
3108 |
|
|
11 |
A1 |
324 |
334 |
1.031 |
295 |
3109 |
|
|
12 |
A1 |
135 |
|
|
295 |
3110 |
|
|
13 |
A2 |
3077 |
2967 |
0.964 |
295 |
3111 |
|
|
14 |
A2 |
3030 |
2930 |
0.967 |
295 |
3112 |
|
|
15 |
A2 |
1471 |
|
|
295 |
3113 |
|
|
16 |
A2 |
1239 |
|
|
295 |
3114 |
|
|
17 |
A2 |
1017 |
|
|
295 |
3115 |
|
|
18 |
A2 |
775 |
|
|
295 |
3116 |
|
|
19 |
A2 |
245 |
|
|
295 |
3117 |
|
|
20 |
A2 |
63 |
|
|
295 |
3118 |
|
|
21 |
B1 |
3077 |
2967 |
0.964 |
295 |
3119 |
|
|
22 |
B1 |
3024 |
2930 |
0.969 |
295 |
3120 |
|
|
23 |
B1 |
1471 |
1450 |
0.986 |
295 |
3121 |
|
|
24 |
B1 |
1245 |
1242 |
0.998 |
295 |
3122 |
|
|
25 |
B1 |
1040 |
|
|
295 |
3123 |
|
|
26 |
B1 |
792 |
780 |
0.984 |
295 |
3124 |
|
|
27 |
B1 |
243 |
|
|
295 |
3125 |
|
|
28 |
B1 |
46 |
|
|
295 |
3126 |
|
|
29 |
B2 |
3066 |
2967 |
0.968 |
295 |
3127 |
|
|
30 |
B2 |
2991 |
2874 |
0.961 |
295 |
3128 |
|
|
31 |
B2 |
2981 |
2853 |
0.957 |
295 |
3129 |
|
|
32 |
B2 |
1482 |
1450 |
0.979 |
295 |
3130 |
|
|
33 |
B2 |
1461 |
1427 |
0.977 |
295 |
3131 |
|
|
34 |
B2 |
1387 |
1380 |
0.995 |
295 |
3132 |
|
|
35 |
B2 |
1256 |
1259 |
1.002 |
295 |
3133 |
|
|
36 |
B2 |
1031 |
1017 |
0.987 |
295 |
3134 |
|
|
37 |
B2 |
973 |
974 |
1.001 |
295 |
3135 |
|
|
38 |
B2 |
663 |
693 |
1.045 |
295 |
3136 |
|
|
39 |
B2 |
331 |
345 |
1.042 |
295 |
3137 |
CH3C(SCH3)HCH3 |
Propane, 2-(methylthio)- |
1 |
A |
3096 |
2971 |
0.960 |
296 |
3138 |
|
|
2 |
A |
3078 |
2971 |
0.965 |
296 |
3139 |
|
|
3 |
A |
3076 |
2971 |
0.966 |
296 |
3140 |
|
|
4 |
A |
3073 |
2971 |
0.967 |
296 |
3141 |
|
|
5 |
A |
3060 |
2971 |
0.971 |
296 |
3142 |
|
|
6 |
A |
3052 |
2971 |
0.974 |
296 |
3143 |
|
|
7 |
A |
2990 |
2918 |
0.976 |
296 |
3144 |
|
|
8 |
A |
2987 |
2899 |
0.971 |
296 |
3145 |
|
|
9 |
A |
2982 |
2867 |
0.961 |
296 |
3146 |
|
|
10 |
A |
2978 |
2867 |
0.963 |
296 |
3147 |
|
|
11 |
A |
1488 |
1448 |
0.973 |
296 |
3148 |
|
|
12 |
A |
1478 |
1448 |
0.980 |
296 |
3149 |
|
|
13 |
A |
1467 |
1448 |
0.987 |
296 |
3150 |
|
|
14 |
A |
1466 |
1448 |
0.988 |
296 |
3151 |
|
|
15 |
A |
1457 |
1448 |
0.993 |
296 |
3152 |
|
|
16 |
A |
1444 |
1448 |
1.003 |
296 |
3153 |
|
|
17 |
A |
1395 |
1386 |
0.994 |
296 |
3154 |
|
|
18 |
A |
1376 |
1364 |
0.991 |
296 |
3155 |
|
|
19 |
A |
1338 |
1339 |
1.000 |
296 |
3156 |
|
|
20 |
A |
1317 |
1315 |
0.998 |
296 |
3157 |
|
|
21 |
A |
1254 |
1244 |
0.992 |
296 |
3158 |
|
|
22 |
A |
1158 |
1154 |
0.996 |
296 |
3159 |
|
|
23 |
A |
1110 |
1110 |
1.000 |
296 |
3160 |
|
|
24 |
A |
1060 |
1058 |
0.998 |
296 |
3161 |
|
|
25 |
A |
965 |
|
|
296 |
3162 |
|
|
26 |
A |
954 |
954 |
1.000 |
296 |
3163 |
|
|
27 |
A |
943 |
|
|
296 |
3164 |
|
|
28 |
A |
919 |
924 |
1.005 |
296 |
3165 |
|
|
29 |
A |
868 |
882 |
1.016 |
296 |
3166 |
|
|
30 |
A |
694 |
724 |
1.043 |
296 |
3167 |
|
|
31 |
A |
612 |
632 |
1.032 |
296 |
3168 |
|
|
32 |
A |
419 |
427 |
1.018 |
296 |
3169 |
|
|
33 |
A |
343 |
336 |
0.981 |
296 |
3170 |
|
|
34 |
A |
328 |
|
|
296 |
3171 |
|
|
35 |
A |
253 |
|
|
296 |
3172 |
|
|
36 |
A |
232 |
|
|
296 |
3173 |
|
|
37 |
A |
211 |
215 |
1.021 |
296 |
3174 |
|
|
38 |
A |
164 |
|
|
296 |
3175 |
|
|
39 |
A |
61 |
|
|
296 |
3176 |
C6H10 |
2-Hexyne |
1 |
A' |
3060 |
2972 |
0.971 |
297 |
3177 |
|
|
2 |
A' |
3039 |
2955 |
0.972 |
297 |
3178 |
|
|
3 |
A' |
2993 |
2931 |
0.979 |
297 |
3179 |
|
|
4 |
A' |
2978 |
2919 |
0.980 |
297 |
3180 |
|
|
5 |
A' |
2973 |
2903 |
0.977 |
297 |
3181 |
|
|
6 |
A' |
2957 |
2880 |
0.974 |
297 |
3182 |
|
|
7 |
A' |
2293 |
2188 |
0.954 |
297 |
3183 |
|
|
8 |
A' |
1482 |
1462 |
0.986 |
297 |
3184 |
|
|
9 |
A' |
1469 |
1447 |
0.985 |
297 |
3185 |
|
|
10 |
A' |
1456 |
1435 |
0.986 |
297 |
3186 |
|
|
11 |
A' |
1449 |
1450 |
1.000 |
297 |
3187 |
|
|
12 |
A' |
1390 |
1390 |
1.000 |
297 |
3188 |
|
|
13 |
A' |
1388 |
1382 |
0.996 |
297 |
3189 |
|
|
14 |
A' |
1352 |
1348 |
0.997 |
297 |
3190 |
|
|
15 |
A' |
1279 |
1282 |
1.003 |
297 |
3191 |
|
|
16 |
A' |
1148 |
1135 |
0.988 |
297 |
3192 |
|
|
17 |
A' |
1086 |
1097 |
1.010 |
297 |
3193 |
|
|
18 |
A' |
1028 |
1036 |
1.008 |
297 |
3194 |
|
|
19 |
A' |
1019 |
1032 |
1.013 |
297 |
3195 |
|
|
20 |
A' |
876 |
893 |
1.020 |
297 |
3196 |
|
|
21 |
A' |
753 |
739 |
0.981 |
297 |
3197 |
|
|
22 |
A' |
461 |
478 |
1.036 |
297 |
3198 |
|
|
23 |
A' |
328 |
359 |
1.093 |
297 |
3199 |
|
|
24 |
A' |
262 |
272 |
1.036 |
297 |
3200 |
|
|
25 |
A' |
93 |
115 |
1.233 |
297 |
3201 |
|
|
26 |
A" |
3056 |
2972 |
0.973 |
297 |
3202 |
|
|
27 |
A" |
3040 |
2995 |
0.985 |
297 |
3203 |
|
|
28 |
A" |
3030 |
2942 |
0.971 |
297 |
3204 |
|
|
29 |
A" |
2989 |
2937 |
0.983 |
297 |
3205 |
|
|
30 |
A" |
1478 |
1453 |
0.983 |
297 |
3206 |
|
|
31 |
A" |
1455 |
1450 |
0.997 |
297 |
3207 |
|
|
32 |
A" |
1298 |
1394 |
1.074 |
297 |
3208 |
|
|
33 |
A" |
1233 |
1231 |
0.998 |
297 |
3209 |
|
|
34 |
A" |
1098 |
1091 |
0.993 |
297 |
3210 |
|
|
35 |
A" |
1027 |
1032 |
1.005 |
297 |
3211 |
|
|
36 |
A" |
858 |
866 |
1.009 |
297 |
3212 |
|
|
37 |
A" |
732 |
740 |
1.011 |
297 |
3213 |
|
|
38 |
A" |
338 |
392 |
1.158 |
297 |
3214 |
|
|
39 |
A" |
241 |
238 |
0.987 |
297 |
3215 |
|
|
40 |
A" |
208 |
220 |
1.059 |
297 |
3216 |
|
|
41 |
A" |
71 |
88 |
1.242 |
297 |
3217 |
|
|
42 |
A" |
30i |
|
|
297 |
3218 |
C8H8 |
cubane |
1 |
A1g |
3087 |
2995 |
0.970 |
298 |
3219 |
|
|
2 |
A1g |
988 |
1002 |
1.014 |
298 |
3220 |
|
|
3 |
A2u |
3047 |
2978 |
0.977 |
298 |
3221 |
|
|
4 |
A2u |
1011 |
839 |
0.830 |
298 |
3222 |
|
|
5 |
Eg |
1086 |
1083 |
0.997 |
298 |
3223 |
|
|
6 |
Eg |
900 |
912 |
1.014 |
298 |
3224 |
|
|
7 |
Eu |
1155 |
1151 |
0.997 |
298 |
3225 |
|
|
8 |
Eu |
606 |
617 |
1.019 |
298 |
3226 |
|
|
9 |
T1g |
1131 |
1130 |
0.999 |
298 |
3227 |
|
|
10 |
T1u |
3066 |
2978 |
0.971 |
298 |
3228 |
|
|
11 |
T1u |
1240 |
1230 |
0.992 |
298 |
3229 |
|
|
12 |
T1u |
847 |
853 |
1.007 |
298 |
3230 |
|
|
13 |
T2g |
3059 |
2970 |
0.971 |
298 |
3231 |
|
|
14 |
T2g |
1194 |
1182 |
0.990 |
298 |
3232 |
|
|
15 |
T2g |
821 |
821 |
1.000 |
298 |
3233 |
|
|
16 |
T2g |
663 |
665 |
1.003 |
298 |
3234 |
|
|
17 |
T2u |
1041 |
1036 |
0.995 |
298 |
3235 |
|
|
18 |
T2u |
825 |
829 |
1.005 |
298 |
3236 |
C5H10S |
2H-Thiopyran, tetrahydro- |
1 |
A' |
3057 |
2948 |
0.964 |
299 |
3237 |
|
|
2 |
A' |
3029 |
2929 |
0.967 |
299 |
3238 |
|
|
3 |
A' |
3017 |
2929 |
0.971 |
299 |
3239 |
|
|
4 |
A' |
2981 |
2904 |
0.974 |
299 |
3240 |
|
|
5 |
A' |
2971 |
2878 |
0.969 |
299 |
3241 |
|
|
6 |
A' |
2960 |
2849 |
0.962 |
299 |
3242 |
|
|
7 |
A' |
1469 |
1451 |
0.988 |
299 |
3243 |
|
|
8 |
A' |
1456 |
1440 |
0.989 |
299 |
3244 |
|
|
9 |
A' |
1443 |
1426 |
0.988 |
299 |
3245 |
|
|
10 |
A' |
1352 |
1348 |
0.997 |
299 |
3246 |
|
|
11 |
A' |
1312 |
1299 |
0.990 |
299 |
3247 |
|
|
12 |
A' |
1241 |
1237 |
0.996 |
299 |
3248 |
|
|
13 |
A' |
1218 |
1215 |
0.998 |
299 |
3249 |
|
|
14 |
A' |
1062 |
1061 |
0.999 |
299 |
3250 |
|
|
15 |
A' |
1004 |
965 |
0.961 |
299 |
3251 |
|
|
16 |
A' |
963 |
897 |
0.932 |
299 |
3252 |
|
|
17 |
A' |
823 |
826 |
1.004 |
299 |
3253 |
|
|
18 |
A' |
800 |
813 |
1.016 |
299 |
3254 |
|
|
19 |
A' |
630 |
656 |
1.042 |
299 |
3255 |
|
|
20 |
A' |
494 |
504 |
1.021 |
299 |
3256 |
|
|
21 |
A' |
353 |
359 |
1.018 |
299 |
3257 |
|
|
22 |
A' |
339 |
344 |
1.016 |
299 |
3258 |
|
|
23 |
A' |
170 |
194 |
1.139 |
299 |
3259 |
|
|
24 |
A" |
3058 |
2948 |
0.964 |
299 |
3260 |
|
|
25 |
A" |
3022 |
2929 |
0.969 |
299 |
3261 |
|
|
26 |
A" |
2981 |
2892 |
0.970 |
299 |
3262 |
|
|
27 |
A" |
2971 |
2878 |
0.969 |
299 |
3263 |
|
|
28 |
A" |
1449 |
1433 |
0.989 |
299 |
3264 |
|
|
29 |
A" |
1438 |
1405 |
0.977 |
299 |
3265 |
|
|
30 |
A" |
1355 |
1338 |
0.987 |
299 |
3266 |
|
|
31 |
A" |
1340 |
1313 |
0.980 |
299 |
3267 |
|
|
32 |
A" |
1272 |
1269 |
0.998 |
299 |
3268 |
|
|
33 |
A" |
1264 |
1259 |
0.996 |
299 |
3269 |
|
|
34 |
A" |
1143 |
1141 |
0.998 |
299 |
3270 |
|
|
35 |
A" |
1082 |
1090 |
1.007 |
299 |
3271 |
|
|
36 |
A" |
1064 |
1013 |
0.952 |
299 |
3272 |
|
|
37 |
A" |
920 |
929 |
1.010 |
299 |
3273 |
|
|
38 |
A" |
893 |
905 |
1.013 |
299 |
3274 |
|
|
39 |
A" |
784 |
791 |
1.009 |
299 |
3275 |
|
|
40 |
A" |
659 |
688 |
1.044 |
299 |
3276 |
|
|
41 |
A" |
394 |
398 |
1.009 |
299 |
3277 |
|
|
42 |
A" |
229 |
242 |
1.059 |
299 |
3278 |
C5H12 |
Pentane |
1 |
A1 |
3055 |
2973 |
0.973 |
300 |
3279 |
|
|
2 |
A1 |
2978 |
2892 |
0.971 |
300 |
3280 |
|
|
3 |
A1 |
2971 |
2866 |
0.965 |
300 |
3281 |
|
|
4 |
A1 |
2954 |
2866 |
0.970 |
300 |
3282 |
|
|
5 |
A1 |
1488 |
1480 |
0.994 |
300 |
3283 |
|
|
6 |
A1 |
1473 |
1463 |
0.993 |
300 |
3284 |
|
|
7 |
A1 |
1462 |
1450 |
0.991 |
300 |
3285 |
|
|
8 |
A1 |
1389 |
1379 |
0.993 |
300 |
3286 |
|
|
9 |
A1 |
1341 |
1346 |
1.003 |
300 |
3287 |
|
|
10 |
A1 |
1138 |
1144 |
1.005 |
300 |
3288 |
|
|
11 |
A1 |
1026 |
1036 |
1.010 |
300 |
3289 |
|
|
12 |
A1 |
858 |
867 |
1.011 |
300 |
3290 |
|
|
13 |
A1 |
394 |
401 |
1.019 |
300 |
3291 |
|
|
14 |
A1 |
174 |
179 |
1.027 |
300 |
3292 |
|
|
15 |
A2 |
3050 |
2967 |
0.973 |
300 |
3293 |
|
|
16 |
A2 |
2999 |
2908 |
0.970 |
300 |
3294 |
|
|
17 |
A2 |
1477 |
1462 |
0.990 |
300 |
3295 |
|
|
18 |
A2 |
1311 |
1346 |
1.027 |
300 |
3296 |
|
|
19 |
A2 |
1244 |
1269 |
1.020 |
300 |
3297 |
|
|
20 |
A2 |
980 |
993 |
1.013 |
300 |
3298 |
|
|
21 |
A2 |
756 |
766 |
1.013 |
300 |
3299 |
|
|
22 |
A2 |
244 |
210 |
0.860 |
300 |
3300 |
|
|
23 |
A2 |
103 |
131 |
1.268 |
300 |
3301 |
|
|
24 |
B1 |
3052 |
2965 |
0.972 |
300 |
3302 |
|
|
25 |
B1 |
3016 |
2930 |
0.971 |
300 |
3303 |
|
|
26 |
B1 |
2982 |
2930 |
0.983 |
300 |
3304 |
|
|
27 |
B1 |
1476 |
1469 |
0.995 |
300 |
3305 |
|
|
28 |
B1 |
1305 |
1303 |
0.998 |
300 |
3306 |
|
|
29 |
B1 |
1183 |
1170 |
0.989 |
300 |
3307 |
|
|
30 |
B1 |
857 |
858 |
1.001 |
300 |
3308 |
|
|
31 |
B1 |
722 |
727 |
1.007 |
300 |
3309 |
|
|
32 |
B1 |
233 |
215 |
0.921 |
300 |
3310 |
|
|
33 |
B1 |
112 |
88 |
0.783 |
300 |
3311 |
|
|
34 |
B2 |
3055 |
2965 |
0.971 |
300 |
3312 |
|
|
35 |
B2 |
2977 |
2879 |
0.967 |
300 |
3313 |
|
|
36 |
B2 |
2963 |
2866 |
0.967 |
300 |
3314 |
|
|
37 |
B2 |
1481 |
1476 |
0.996 |
300 |
3315 |
|
|
38 |
B2 |
1464 |
1456 |
0.994 |
300 |
3316 |
|
|
39 |
B2 |
1387 |
1389 |
1.002 |
300 |
3317 |
|
|
40 |
B2 |
1372 |
1379 |
1.005 |
300 |
3318 |
|
|
41 |
B2 |
1267 |
1269 |
1.002 |
300 |
3319 |
|
|
42 |
B2 |
1056 |
1073 |
1.016 |
300 |
3320 |
|
|
43 |
B2 |
1019 |
1024 |
1.005 |
300 |
3321 |
|
|
44 |
B2 |
910 |
910 |
1.000 |
300 |
3322 |
|
|
45 |
B2 |
393 |
406 |
1.032 |
300 |
3323 |
C5H12 |
Propane, 2,2-dimethyl- |
1 |
A1 |
2986 |
2909 |
0.974 |
301 |
3324 |
|
|
2 |
A1 |
1415 |
1381 |
0.976 |
301 |
3325 |
|
|
3 |
A1 |
718 |
733 |
1.020 |
301 |
3326 |
|
|
4 |
A2 |
244 |
198 |
0.811 |
301 |
3327 |
|
|
5 |
E |
3054 |
2955 |
0.967 |
301 |
3328 |
|
|
6 |
E |
1471 |
1451 |
0.986 |
301 |
3329 |
|
|
7 |
E |
1076 |
999 |
0.929 |
301 |
3330 |
|
|
8 |
E |
337 |
335 |
0.995 |
301 |
3331 |
|
|
9 |
T1 |
3053 |
2975 |
0.974 |
301 |
3332 |
|
|
10 |
T1 |
1464 |
1461 |
0.998 |
301 |
3333 |
|
|
11 |
T1 |
950 |
932 |
0.981 |
301 |
3334 |
|
|
12 |
T1 |
318 |
203 |
0.638 |
301 |
3335 |
|
|
13 |
T2 |
3059 |
2959 |
0.967 |
301 |
3336 |
|
|
14 |
T2 |
2976 |
2876 |
0.966 |
301 |
3337 |
|
|
15 |
T2 |
1502 |
1475 |
0.982 |
301 |
3338 |
|
|
16 |
T2 |
1374 |
1372 |
0.999 |
301 |
3339 |
|
|
17 |
T2 |
1250 |
1256 |
1.005 |
301 |
3340 |
|
|
18 |
T2 |
918 |
925 |
1.007 |
301 |
3341 |
|
|
19 |
T2 |
425 |
418 |
0.984 |
301 |
3342 |
C5H11N |
Piperidine |
1 |
A' |
3473 |
3341 |
0.962 |
302 |
3343 |
|
|
2 |
A' |
3036 |
2947 |
0.971 |
302 |
3344 |
|
|
3 |
A' |
3023 |
2931 |
0.970 |
302 |
3345 |
|
|
4 |
A' |
3018 |
2917 |
0.966 |
302 |
3346 |
|
|
5 |
A' |
2983 |
2892 |
0.970 |
302 |
3347 |
|
|
6 |
A' |
2964 |
2850 |
0.962 |
302 |
3348 |
|
|
7 |
A' |
2842 |
2730 |
0.960 |
302 |
3349 |
|
|
8 |
A' |
1480 |
1476 |
0.997 |
302 |
3350 |
|
|
9 |
A' |
1466 |
1452 |
0.990 |
302 |
3351 |
|
|
10 |
A' |
1459 |
1444 |
0.990 |
302 |
3352 |
|
|
11 |
A' |
1389 |
1386 |
0.998 |
302 |
3353 |
|
|
12 |
A' |
1350 |
1365 |
1.011 |
302 |
3354 |
|
|
13 |
A' |
1288 |
1346 |
1.045 |
302 |
3355 |
|
|
14 |
A' |
1262 |
1266 |
1.003 |
302 |
3356 |
|
|
15 |
A' |
1141 |
1164 |
1.020 |
302 |
3357 |
|
|
16 |
A' |
1044 |
1035 |
0.991 |
302 |
3358 |
|
|
17 |
A' |
1029 |
1006 |
0.978 |
302 |
3359 |
|
|
18 |
A' |
891 |
906 |
1.017 |
302 |
3360 |
|
|
19 |
A' |
853 |
853 |
1.000 |
302 |
3361 |
|
|
20 |
A' |
805 |
822 |
1.021 |
302 |
3362 |
|
|
21 |
A' |
747 |
743 |
0.995 |
302 |
3363 |
|
|
22 |
A' |
538 |
546 |
1.016 |
302 |
3364 |
|
|
23 |
A' |
428 |
432 |
1.010 |
302 |
3365 |
|
|
24 |
A' |
393 |
404 |
1.027 |
302 |
3366 |
|
|
25 |
A' |
243 |
246 |
1.013 |
302 |
3367 |
|
|
26 |
A" |
3031 |
2940 |
0.970 |
302 |
3368 |
|
|
27 |
A" |
3021 |
2902 |
0.961 |
302 |
3369 |
|
|
28 |
A" |
2983 |
2850 |
0.955 |
302 |
3370 |
|
|
29 |
A" |
2834 |
2803 |
0.989 |
302 |
3371 |
|
|
30 |
A" |
1467 |
1468 |
1.001 |
302 |
3372 |
|
|
31 |
A" |
1455 |
1460 |
1.003 |
302 |
3373 |
|
|
32 |
A" |
1446 |
1436 |
0.993 |
302 |
3374 |
|
|
33 |
A" |
1349 |
1332 |
0.988 |
302 |
3375 |
|
|
34 |
A" |
1331 |
1318 |
0.990 |
302 |
3376 |
|
|
35 |
A" |
1316 |
1285 |
0.977 |
302 |
3377 |
|
|
36 |
A" |
1269 |
1258 |
0.991 |
302 |
3378 |
|
|
37 |
A" |
1162 |
1191 |
1.025 |
302 |
3379 |
|
|
38 |
A" |
1146 |
1146 |
1.000 |
302 |
3380 |
|
|
39 |
A" |
1105 |
1115 |
1.009 |
302 |
3381 |
|
|
40 |
A" |
1044 |
1052 |
1.008 |
302 |
3382 |
|
|
41 |
A" |
962 |
964 |
1.002 |
302 |
3383 |
|
|
42 |
A" |
863 |
874 |
1.013 |
302 |
3384 |
|
|
43 |
A" |
805 |
810 |
1.006 |
302 |
3385 |
|
|
44 |
A" |
445 |
445 |
0.999 |
302 |
3386 |
|
|
45 |
A" |
241 |
254 |
1.052 |
302 |
3387 |
C5H12S |
Propane, 2-methyl-2-(methylthio)- |
1 |
A' |
3093 |
2967 |
0.959 |
303 |
3388 |
|
|
2 |
A' |
3081 |
2967 |
0.963 |
303 |
3389 |
|
|
3 |
A' |
3065 |
2967 |
0.968 |
303 |
3390 |
|
|
4 |
A' |
3055 |
2967 |
0.971 |
303 |
3391 |
|
|
5 |
A' |
2994 |
2924 |
0.976 |
303 |
3392 |
|
|
6 |
A' |
2989 |
2875 |
0.962 |
303 |
3393 |
|
|
7 |
A' |
2982 |
2875 |
0.964 |
303 |
3394 |
|
|
8 |
A' |
1498 |
1460 |
0.975 |
303 |
3395 |
|
|
9 |
A' |
1482 |
1460 |
0.985 |
303 |
3396 |
|
|
10 |
A' |
1466 |
1445 |
0.985 |
303 |
3397 |
|
|
11 |
A' |
1458 |
1435 |
0.984 |
303 |
3398 |
|
|
12 |
A' |
1408 |
1391 |
0.988 |
303 |
3399 |
|
|
13 |
A' |
1378 |
1364 |
0.990 |
303 |
3400 |
|
|
14 |
A' |
1336 |
1318 |
0.987 |
303 |
3401 |
|
|
15 |
A' |
1216 |
1210 |
0.995 |
303 |
3402 |
|
|
16 |
A' |
1170 |
1161 |
0.993 |
303 |
3403 |
|
|
17 |
A' |
1033 |
1026 |
0.993 |
303 |
3404 |
|
|
18 |
A' |
959 |
|
|
303 |
3405 |
|
|
19 |
A' |
924 |
932 |
1.009 |
303 |
3406 |
|
|
20 |
A' |
796 |
815 |
1.024 |
303 |
3407 |
|
|
21 |
A' |
693 |
722 |
1.041 |
303 |
3408 |
|
|
22 |
A' |
564 |
588 |
1.043 |
303 |
3409 |
|
|
23 |
A' |
420 |
419 |
0.997 |
303 |
3410 |
|
|
24 |
A' |
360 |
367 |
1.020 |
303 |
3411 |
|
|
25 |
A' |
318 |
322 |
1.012 |
303 |
3412 |
|
|
26 |
A' |
272 |
|
|
303 |
3413 |
|
|
27 |
A' |
222 |
226 |
1.019 |
303 |
3414 |
|
|
28 |
A" |
3081 |
2967 |
0.963 |
303 |
3415 |
|
|
29 |
A" |
3079 |
2967 |
0.964 |
303 |
3416 |
|
|
30 |
A" |
3076 |
2967 |
0.965 |
303 |
3417 |
|
|
31 |
A" |
3051 |
2967 |
0.973 |
303 |
3418 |
|
|
32 |
A" |
2977 |
2875 |
0.966 |
303 |
3419 |
|
|
33 |
A" |
1484 |
1460 |
0.984 |
303 |
3420 |
|
|
34 |
A" |
1465 |
1445 |
0.987 |
303 |
3421 |
|
|
35 |
A" |
1456 |
1445 |
0.992 |
303 |
3422 |
|
|
36 |
A" |
1443 |
1435 |
0.995 |
303 |
3423 |
|
|
37 |
A" |
1376 |
1364 |
0.991 |
303 |
3424 |
|
|
38 |
A" |
1213 |
1181 |
0.974 |
303 |
3425 |
|
|
39 |
A" |
1024 |
1026 |
1.002 |
303 |
3426 |
|
|
40 |
A" |
959 |
|
|
303 |
3427 |
|
|
41 |
A" |
953 |
952 |
0.999 |
303 |
3428 |
|
|
42 |
A" |
916 |
932 |
1.018 |
303 |
3429 |
|
|
43 |
A" |
402 |
403 |
1.003 |
303 |
3430 |
|
|
44 |
A" |
306 |
305 |
0.998 |
303 |
3431 |
|
|
45 |
A" |
275 |
|
|
303 |
3432 |
|
|
46 |
A" |
230 |
|
|
303 |
3433 |
|
|
47 |
A" |
166 |
|
|
303 |
3434 |
|
|
48 |
A" |
26i |
|
|
303 |
3435 |
C6H14 |
Hexane |
1 |
Ag |
3053 |
2966 |
0.971 |
304 |
3436 |
|
|
2 |
Ag |
2975 |
2877 |
0.967 |
304 |
3437 |
|
|
3 |
Ag |
2965 |
2863 |
0.966 |
304 |
3438 |
|
|
4 |
Ag |
2951 |
2852 |
0.966 |
304 |
3439 |
|
|
5 |
Ag |
1483 |
1460 |
0.984 |
304 |
3440 |
|
|
6 |
Ag |
1468 |
1460 |
0.995 |
304 |
3441 |
|
|
7 |
Ag |
1461 |
1440 |
0.985 |
304 |
3442 |
|
|
8 |
Ag |
1388 |
1397 |
1.006 |
304 |
3443 |
|
|
9 |
Ag |
1374 |
1366 |
0.994 |
304 |
3444 |
|
|
10 |
Ag |
1313 |
1305 |
0.994 |
304 |
3445 |
|
|
11 |
Ag |
1135 |
1140 |
1.004 |
304 |
3446 |
|
|
12 |
Ag |
1054 |
1065 |
1.010 |
304 |
3447 |
|
|
13 |
Ag |
996 |
1007 |
1.011 |
304 |
3448 |
|
|
14 |
Ag |
890 |
901 |
1.012 |
304 |
3449 |
|
|
15 |
Ag |
362 |
371 |
1.024 |
304 |
3450 |
|
|
16 |
Ag |
292 |
305 |
1.043 |
304 |
3451 |
|
|
17 |
Au |
3049 |
2967 |
0.973 |
304 |
3452 |
|
|
18 |
Au |
3017 |
2936 |
0.973 |
304 |
3453 |
|
|
19 |
Au |
2988 |
2920 |
0.977 |
304 |
3454 |
|
|
20 |
Au |
1477 |
1460 |
0.988 |
304 |
3455 |
|
|
21 |
Au |
1314 |
1303 |
0.992 |
304 |
3456 |
|
|
22 |
Au |
1230 |
1222 |
0.994 |
304 |
3457 |
|
|
23 |
Au |
1000 |
1010 |
1.010 |
304 |
3458 |
|
|
24 |
Au |
796 |
824 |
1.035 |
304 |
3459 |
|
|
25 |
Au |
720 |
726 |
1.008 |
304 |
3460 |
|
|
26 |
Au |
249 |
216 |
0.868 |
304 |
3461 |
|
|
27 |
Au |
90 |
94 |
1.043 |
304 |
3462 |
|
|
28 |
Au |
64 |
61 |
0.960 |
304 |
3463 |
|
|
29 |
Bg |
3048 |
2966 |
0.973 |
304 |
3464 |
|
|
30 |
Bg |
3004 |
2908 |
0.968 |
304 |
3465 |
|
|
31 |
Bg |
2977 |
2908 |
0.977 |
304 |
3466 |
|
|
32 |
Bg |
1477 |
1460 |
0.988 |
304 |
3467 |
|
|
33 |
Bg |
1310 |
1305 |
0.996 |
304 |
3468 |
|
|
34 |
Bg |
1285 |
1283 |
0.999 |
304 |
3469 |
|
|
35 |
Bg |
1181 |
1168 |
0.989 |
304 |
3470 |
|
|
36 |
Bg |
894 |
894 |
1.000 |
304 |
3471 |
|
|
37 |
Bg |
735 |
740 |
1.007 |
304 |
3472 |
|
|
38 |
Bg |
238 |
208 |
0.874 |
304 |
3473 |
|
|
39 |
Bg |
140 |
125 |
0.896 |
304 |
3474 |
|
|
40 |
Bu |
3053 |
2967 |
0.972 |
304 |
3475 |
|
|
41 |
Bu |
2975 |
2884 |
0.969 |
304 |
3476 |
|
|
42 |
Bu |
2969 |
2867 |
0.966 |
304 |
3477 |
|
|
43 |
Bu |
2954 |
2851 |
0.965 |
304 |
3478 |
|
|
44 |
Bu |
1488 |
1476 |
0.992 |
304 |
3479 |
|
|
45 |
Bu |
1475 |
1465 |
0.993 |
304 |
3480 |
|
|
46 |
Bu |
1461 |
1452 |
0.994 |
304 |
3481 |
|
|
47 |
Bu |
1386 |
1387 |
1.001 |
304 |
3482 |
|
|
48 |
Bu |
1361 |
1375 |
1.010 |
304 |
3483 |
|
|
49 |
Bu |
1248 |
1249 |
1.001 |
304 |
3484 |
|
|
50 |
Bu |
1058 |
1061 |
1.003 |
304 |
3485 |
|
|
51 |
Bu |
1034 |
1035 |
1.001 |
304 |
3486 |
|
|
52 |
Bu |
873 |
888 |
1.017 |
304 |
3487 |
|
|
53 |
Bu |
461 |
470 |
1.020 |
304 |
3488 |
|
|
54 |
Bu |
128 |
139 |
1.084 |
304 |
3489 |