H2 |
Hydrogen diatomic |
1 |
Σg |
4319 |
4161 |
0.964 |
1 |
1 |
LiH |
Lithium Hydride |
1 |
Σ |
1367 |
1360 |
0.995 |
2 |
2 |
Li2 |
Lithium diatomic |
1 |
Σg |
331 |
346 |
1.047 |
3 |
3 |
NaH |
sodium hydride |
1 |
Σ |
1137 |
1133 |
0.997 |
4 |
4 |
Na2 |
Sodium diatomic |
1 |
Σg |
158 |
158 |
0.999 |
5 |
5 |
BeH |
beryllium monohydride |
1 |
Σ |
1999 |
1987 |
0.994 |
6 |
6 |
MgH |
magnesium monohydride |
1 |
Σ |
1415 |
1432 |
1.012 |
7 |
7 |
BH |
Boron monohydride |
1 |
Σ |
2242 |
2269 |
1.012 |
8 |
8 |
AlH |
aluminum monohydride |
1 |
Σ |
1594 |
1625 |
1.020 |
9 |
9 |
CH |
Methylidyne |
1 |
Σ |
2735 |
2733 |
0.999 |
10 |
10 |
SiH |
Silylidyne |
1 |
Σ |
1953 |
1971 |
1.009 |
11 |
11 |
Si2 |
Silicon diatomic |
1 |
Σg |
483 |
507 |
1.050 |
12 |
12 |
NH |
Imidogen |
1 |
Σ |
3187 |
3126 |
0.981 |
13 |
13 |
|
|
1 |
Σ |
3189 |
3188 |
1.000 |
13 |
14 |
CN |
Cyano radical |
1 |
Σ |
2092 |
2042 |
0.976 |
14 |
15 |
N2 |
Nitrogen diatomic |
1 |
Σg |
2350 |
2330 |
0.992 |
15 |
16 |
|
|
1 |
Σg |
1495 |
1733 |
1.159 |
15 |
17 |
SiN |
Silicon nitride |
1 |
Σ |
1154 |
1138 |
0.987 |
16 |
18 |
PH |
phosphorus monohydride |
1 |
Σ |
2297 |
2276 |
0.991 |
17 |
19 |
CP |
Carbon monophosphide |
1 |
Σ |
1253 |
1226 |
0.979 |
18 |
20 |
PN |
Phosphorus mononitride |
1 |
Σ |
1345 |
1323 |
0.984 |
19 |
21 |
P2 |
Phosphorus diatomic |
1 |
Σg |
783 |
775 |
0.990 |
20 |
22 |
OH |
Hydroxyl radical |
1 |
Σ |
3620 |
3570 |
0.986 |
21 |
23 |
LiO |
lithium oxide |
1 |
Σ |
794 |
799 |
1.007 |
22 |
24 |
BeO |
beryllium oxide |
1 |
Σ |
1478 |
1435 |
0.971 |
23 |
25 |
BO |
boron monoxide |
1 |
Σ |
1853 |
1862 |
1.005 |
24 |
26 |
CO |
Carbon monoxide |
1 |
Σ |
2134 |
2143 |
1.005 |
25 |
27 |
NaO |
sodium monoxide |
1 |
Σ |
463 |
|
|
26 |
28 |
MgO |
magnesium oxide |
1 |
Σ |
805 |
775 |
0.963 |
27 |
29 |
SiO |
Silicon monoxide |
1 |
Σ |
1193 |
1230 |
1.031 |
28 |
30 |
HS |
Mercapto radical |
1 |
Σ |
2624 |
2599 |
0.991 |
29 |
31 |
BeS |
beryllium sulfide |
1 |
Σ |
987 |
986 |
0.999 |
30 |
32 |
BS |
boron sulfide |
1 |
Σ |
1162 |
1167 |
1.004 |
31 |
33 |
CS |
carbon monosulfide |
1 |
Σ |
1264 |
1272 |
1.007 |
32 |
34 |
SO |
Sulfur monoxide |
1 |
Σ |
1110 |
1138 |
1.025 |
33 |
35 |
|
|
1 |
Σ |
1103 |
1054 |
0.956 |
33 |
36 |
MgS |
magnesium sulfide |
1 |
Σ |
526 |
523 |
0.995 |
34 |
37 |
AlS |
Aluminum sulfide |
1 |
Σ |
603 |
610 |
1.013 |
35 |
38 |
SiS |
silicon monosulfide |
1 |
Σ |
724 |
744 |
1.029 |
36 |
39 |
S2 |
Sulfur diatomic |
1 |
Σg |
701 |
720 |
1.027 |
37 |
40 |
HF |
Hydrogen fluoride |
1 |
Σ |
3984 |
3961 |
0.994 |
38 |
41 |
LiF |
lithium fluoride |
1 |
Σ |
883 |
896 |
1.014 |
39 |
42 |
BeF |
Beryllium monofluoride |
1 |
Σ |
1215 |
|
|
40 |
43 |
CF |
Fluoromethylidyne |
1 |
Σ |
1257 |
1286 |
1.023 |
41 |
44 |
NF |
nitrogen fluoride |
1 |
Σ |
1131 |
1123 |
0.993 |
42 |
45 |
F2 |
Fluorine diatomic |
1 |
Σg |
982 |
894 |
0.910 |
43 |
46 |
NaF |
sodium fluoride |
1 |
Σ |
513 |
529 |
1.031 |
44 |
47 |
MgF |
Magnesium monofluoride |
1 |
Σ |
671 |
|
|
45 |
48 |
AlF |
Aluminum monofluoride |
1 |
Σ |
735 |
793 |
1.079 |
46 |
49 |
SiF |
silicon monofluoride |
1 |
Σ |
784 |
848 |
1.081 |
47 |
50 |
PF |
phosphorus monofluoride |
1 |
Σ |
790 |
838 |
1.061 |
48 |
51 |
SF |
Monosulfur monofluoride |
1 |
Σ |
794 |
829 |
1.044 |
49 |
52 |
HCl |
Hydrogen chloride |
1 |
Σ |
2905 |
2886 |
0.994 |
50 |
53 |
LiCl |
lithium chloride |
1 |
Σ |
633 |
634 |
1.002 |
51 |
54 |
BeCl |
beryllium monochloride |
1 |
Σ |
829 |
847 |
1.021 |
52 |
55 |
BCl |
boron monochloride |
1 |
Σ |
812 |
829 |
1.021 |
53 |
56 |
CCl |
carbon monochloride |
1 |
Σ |
861 |
866 |
1.006 |
54 |
57 |
ClO |
Monochlorine monoxide |
1 |
Σ |
867 |
843 |
0.971 |
55 |
58 |
ClF |
Chlorine monofluoride |
1 |
Σ |
763 |
773 |
1.014 |
56 |
59 |
NaCl |
Sodium Chloride |
1 |
Σ |
355 |
361 |
1.019 |
57 |
60 |
MgCl |
magnesium monochloride |
1 |
Σ |
440 |
|
|
58 |
61 |
AlCl |
Aluminum monochloride |
1 |
Σ |
454 |
478 |
1.051 |
59 |
62 |
SiCl |
Clorosilylidyne |
1 |
Σ |
512 |
531 |
1.038 |
60 |
63 |
PCl |
phosphorus chloride |
1 |
Σ |
537 |
547 |
1.019 |
61 |
64 |
SCl |
sulfur monochloride |
1 |
Σ |
567 |
577 |
1.018 |
62 |
65 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
539 |
554 |
1.029 |
63 |
66 |
BeH2 |
beryllium dihydride |
2 |
Σu |
2212 |
2159 |
0.976 |
64 |
67 |
|
|
3 |
Πu |
691 |
698 |
1.010 |
64 |
68 |
MgH2 |
magnesium dihydride |
2 |
Σu |
1589 |
1572 |
0.989 |
65 |
69 |
|
|
3 |
Πu |
412 |
440 |
1.066 |
65 |
70 |
BH2 |
boron dihydride |
2 |
A1 |
940 |
954 |
1.014 |
66 |
71 |
AlH2 |
aluminum dihydride |
1 |
A1 |
1758 |
1770 |
1.007 |
67 |
72 |
|
|
2 |
A1 |
739 |
760 |
1.028 |
67 |
73 |
|
|
3 |
B2 |
1805 |
1807 |
1.001 |
67 |
74 |
SiH2 |
silicon dihydride |
1 |
A1 |
1982 |
1996 |
1.007 |
68 |
75 |
|
|
2 |
A1 |
974 |
999 |
1.026 |
68 |
76 |
|
|
3 |
B2 |
1989 |
1993 |
1.002 |
68 |
77 |
NH2 |
Amino radical |
1 |
A1 |
3277 |
3219 |
0.982 |
69 |
78 |
|
|
2 |
A1 |
1493 |
1497 |
1.003 |
69 |
79 |
|
|
3 |
B2 |
3368 |
3301 |
0.980 |
69 |
80 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3358 |
3312 |
0.986 |
70 |
81 |
|
|
2 |
Σ |
2120 |
2089 |
0.985 |
70 |
82 |
|
|
3 |
Π |
726 |
712 |
0.980 |
70 |
83 |
HNC |
hydrogen isocyanide |
1 |
Σ |
2032 |
3653 |
1.798 |
71 |
84 |
|
|
2 |
Σ |
3713 |
2029 |
0.546 |
71 |
85 |
|
|
3 |
Π |
465 |
477 |
1.026 |
71 |
86 |
PH2 |
Phosphino radical |
1 |
A1 |
1079 |
2310 |
2.141 |
72 |
87 |
|
|
2 |
A1 |
2302 |
1102 |
0.479 |
72 |
88 |
HCP |
Phosphaethyne |
1 |
Σ |
1303 |
3217 |
2.469 |
73 |
89 |
|
|
2 |
Σ |
3269 |
1278 |
0.391 |
73 |
90 |
|
|
3 |
Π |
695 |
674 |
0.970 |
73 |
91 |
HPO |
Hydrogen phosphorus oxide |
1 |
A' |
954 |
2095 |
2.195 |
74 |
92 |
|
|
2 |
A' |
1169 |
1188 |
1.016 |
74 |
93 |
|
|
3 |
A' |
2009 |
986 |
0.491 |
74 |
94 |
H2O |
Water |
1 |
A1 |
3725 |
3657 |
0.982 |
75 |
95 |
|
|
2 |
A1 |
1592 |
1595 |
1.002 |
75 |
96 |
|
|
3 |
B2 |
3832 |
3756 |
0.980 |
75 |
97 |
LiOH |
lithium hydroxide |
1 |
Σ |
3926 |
3688 |
0.939 |
76 |
98 |
|
|
2 |
Σ |
936 |
871 |
0.930 |
76 |
99 |
|
|
3 |
Π |
344 |
257 |
0.745 |
76 |
100 |
BeOH |
beryllium monohydroxide |
2 |
A' |
1248 |
1246 |
0.998 |
77 |
101 |
HBO |
Boron hydride oxide |
1 |
Σ |
2820 |
2850 |
1.011 |
78 |
102 |
|
|
2 |
Σ |
1808 |
1826 |
1.010 |
78 |
103 |
|
|
3 |
Π |
744 |
756 |
1.016 |
78 |
104 |
HCO |
Formyl radical |
1 |
A' |
2567 |
2434 |
0.948 |
79 |
105 |
|
|
2 |
A' |
1876 |
1868 |
0.996 |
79 |
106 |
|
|
3 |
A' |
1066 |
1081 |
1.014 |
79 |
107 |
HNO |
Nitrosyl hydride |
1 |
A' |
2686 |
2684 |
0.999 |
80 |
108 |
|
|
2 |
A' |
1607 |
1565 |
0.974 |
80 |
109 |
|
|
3 |
A' |
1507 |
1501 |
0.996 |
80 |
110 |
HO2 |
Hydroperoxy radical |
1 |
A' |
3446 |
3436 |
0.997 |
81 |
111 |
|
|
2 |
A' |
1396 |
1392 |
0.997 |
81 |
112 |
|
|
3 |
A' |
1122 |
1098 |
0.978 |
81 |
113 |
CO2 |
Carbon dioxide |
1 |
Σg |
1325 |
1333 |
1.006 |
82 |
114 |
|
|
2 |
Σu |
2365 |
2349 |
0.993 |
82 |
115 |
|
|
3 |
Πu |
648 |
667 |
1.030 |
82 |
116 |
N2O |
Nitrous oxide |
1 |
Σ |
2284 |
2224 |
0.974 |
83 |
117 |
|
|
2 |
Σ |
1306 |
1285 |
0.984 |
83 |
118 |
|
|
3 |
Π |
596 |
589 |
0.988 |
83 |
119 |
NaOH |
sodium hydroxide |
1 |
Σ |
557 |
3637 |
6.529 |
84 |
120 |
|
|
2 |
Σ |
3882 |
540 |
0.139 |
84 |
121 |
|
|
3 |
Π |
95 |
300 |
3.167 |
84 |
122 |
SiO2 |
silicon dioxide |
2 |
Σu |
1389 |
1416 |
1.019 |
85 |
123 |
|
|
3 |
Πu |
280 |
273 |
0.973 |
85 |
124 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2635 |
2615 |
0.992 |
86 |
125 |
|
|
2 |
A1 |
1166 |
1183 |
1.015 |
86 |
126 |
|
|
3 |
B2 |
2649 |
2626 |
0.991 |
86 |
127 |
HBS |
hydrogen boron sulfide |
1 |
Σ |
2765 |
2736 |
0.989 |
87 |
128 |
|
|
2 |
Σ |
1166 |
1172 |
1.006 |
87 |
129 |
OCS |
Carbonyl sulfide |
1 |
Σ |
2067 |
2062 |
0.997 |
88 |
130 |
|
|
2 |
Σ |
869 |
859 |
0.988 |
88 |
131 |
|
|
3 |
Π |
509 |
520 |
1.021 |
88 |
132 |
SO2 |
Sulfur dioxide |
1 |
A1 |
1114 |
1151 |
1.033 |
89 |
133 |
|
|
2 |
A1 |
490 |
518 |
1.057 |
89 |
134 |
|
|
3 |
B2 |
1311 |
1362 |
1.039 |
89 |
135 |
CS2 |
Carbon disulfide |
1 |
Σg |
664 |
658 |
0.992 |
90 |
136 |
|
|
2 |
Σu |
1548 |
1535 |
0.991 |
90 |
137 |
|
|
3 |
Πu |
392 |
397 |
1.012 |
90 |
138 |
SSO |
Disulfur monoxide |
1 |
A' |
1139 |
1166 |
1.024 |
91 |
139 |
|
|
2 |
A' |
666 |
679 |
1.020 |
91 |
140 |
|
|
3 |
A' |
364 |
380 |
1.045 |
91 |
141 |
HCF |
Fluoromethylene |
1 |
A' |
2639 |
2643 |
1.001 |
92 |
142 |
|
|
2 |
A' |
1394 |
1403 |
1.006 |
92 |
143 |
|
|
3 |
A' |
1162 |
1189 |
1.024 |
92 |
144 |
HOF |
Hypofluorous acid |
1 |
A' |
3628 |
3578 |
0.986 |
93 |
145 |
|
|
2 |
A' |
1366 |
1362 |
0.997 |
93 |
146 |
|
|
3 |
A' |
937 |
893 |
0.954 |
93 |
147 |
CF2 |
Difluoromethylene |
1 |
A1 |
1168 |
1225 |
1.049 |
94 |
148 |
|
|
2 |
A1 |
641 |
667 |
1.040 |
94 |
149 |
|
|
3 |
B2 |
1048 |
1114 |
1.064 |
94 |
150 |
FNO |
Nitrosyl fluoride |
1 |
A' |
1887 |
1844 |
0.977 |
95 |
151 |
|
|
2 |
A' |
756 |
766 |
1.013 |
95 |
152 |
|
|
3 |
A' |
497 |
520 |
1.047 |
95 |
153 |
NF2 |
Difluoroamino radical |
1 |
A1 |
1056 |
1075 |
1.018 |
96 |
154 |
|
|
2 |
A1 |
546 |
573 |
1.050 |
96 |
155 |
|
|
3 |
B2 |
878 |
942 |
1.073 |
96 |
156 |
F2O |
Difluorine monoxide |
1 |
A1 |
452 |
928 |
2.053 |
97 |
157 |
|
|
2 |
A1 |
971 |
461 |
0.475 |
97 |
158 |
|
|
3 |
B2 |
791 |
831 |
1.051 |
97 |
159 |
HOCl |
hypochlorous acid |
1 |
A' |
3672 |
3609 |
0.983 |
98 |
160 |
|
|
2 |
A' |
1225 |
1239 |
1.011 |
98 |
161 |
|
|
3 |
A' |
722 |
724 |
1.004 |
98 |
162 |
ClCN |
chlorocyanogen |
1 |
Σ |
742 |
2216 |
2.988 |
99 |
163 |
|
|
2 |
Σ |
2218 |
744 |
0.335 |
99 |
164 |
|
|
3 |
Π |
398 |
378 |
0.949 |
99 |
165 |
ClNO |
Nitrosyl chloride |
1 |
A' |
1844 |
1800 |
0.976 |
100 |
166 |
|
|
2 |
A' |
597 |
596 |
0.999 |
100 |
167 |
|
|
3 |
A' |
328 |
332 |
1.012 |
100 |
168 |
OClO |
Chlorine dioxide |
1 |
A1 |
927 |
946 |
1.020 |
101 |
169 |
|
|
2 |
A1 |
424 |
448 |
1.056 |
101 |
170 |
|
|
3 |
B2 |
1074 |
1110 |
1.034 |
101 |
171 |
CCl2 |
dichloromethylene |
1 |
A1 |
324 |
730 |
2.253 |
102 |
172 |
|
|
2 |
A1 |
698 |
335 |
0.480 |
102 |
173 |
|
|
3 |
B2 |
724 |
758 |
1.047 |
102 |
174 |
Cl2O |
Dichlorine monoxide |
1 |
A1 |
282 |
639 |
2.267 |
103 |
175 |
|
|
2 |
A1 |
640 |
296 |
0.463 |
103 |
176 |
|
|
3 |
B2 |
582 |
686 |
1.179 |
103 |
177 |
SiCl2 |
Dichlorosilylene |
1 |
A1 |
186 |
522 |
2.804 |
104 |
178 |
|
|
2 |
A1 |
494 |
201 |
0.406 |
104 |
179 |
|
|
3 |
B2 |
489 |
509 |
1.041 |
104 |
180 |
ClS2 |
Sulfur chloride |
1 |
A' |
201 |
662 |
3.291 |
105 |
181 |
|
|
2 |
A' |
407 |
450 |
1.106 |
105 |
182 |
|
|
3 |
A' |
661 |
196 |
0.297 |
105 |
183 |
BH3 |
boron trihydride |
2 |
A2" |
1120 |
1148 |
1.025 |
106 |
184 |
|
|
3 |
E' |
2636 |
2602 |
0.987 |
106 |
185 |
|
|
4 |
E' |
1155 |
1197 |
1.036 |
106 |
186 |
C2H2 |
Acetylene |
1 |
Σg |
3439 |
3374 |
0.981 |
107 |
187 |
|
|
2 |
Σg |
2007 |
1974 |
0.983 |
107 |
188 |
|
|
3 |
Σu |
3342 |
3289 |
0.984 |
107 |
189 |
|
|
4 |
Πg |
605 |
612 |
1.012 |
107 |
190 |
|
|
5 |
Πu |
734 |
730 |
0.994 |
107 |
191 |
SiH3 |
Silyl radical |
1 |
A1 |
2134 |
2136 |
1.001 |
108 |
192 |
|
|
2 |
A1 |
706 |
728 |
1.030 |
108 |
193 |
|
|
3 |
E |
2179 |
2185 |
1.003 |
108 |
194 |
|
|
4 |
E |
896 |
922 |
1.029 |
108 |
195 |
NH3 |
Ammonia |
1 |
A1 |
3399 |
3337 |
0.982 |
109 |
196 |
|
|
2 |
A1 |
1018 |
950 |
0.933 |
109 |
197 |
|
|
3 |
E |
3519 |
3444 |
0.979 |
109 |
198 |
|
|
4 |
E |
1620 |
1627 |
1.005 |
109 |
199 |
C2N2 |
Cyanogen |
1 |
Σg |
2329 |
2330 |
1.001 |
110 |
200 |
|
|
2 |
Σg |
870 |
846 |
0.972 |
110 |
201 |
|
|
3 |
Σu |
2172 |
2158 |
0.993 |
110 |
202 |
|
|
4 |
Πg |
548 |
503 |
0.919 |
110 |
203 |
|
|
5 |
Πu |
243 |
234 |
0.961 |
110 |
204 |
P4 |
Phosphorus tetramer |
1 |
A1 |
603 |
601 |
0.996 |
111 |
205 |
|
|
2 |
E |
372 |
361 |
0.970 |
111 |
206 |
|
|
3 |
T2 |
463 |
467 |
1.009 |
111 |
207 |
H2CO |
Formaldehyde |
1 |
A1 |
2790 |
2782 |
0.997 |
112 |
208 |
|
|
2 |
A1 |
1770 |
1746 |
0.986 |
112 |
209 |
|
|
3 |
A1 |
1481 |
1500 |
1.013 |
112 |
210 |
|
|
4 |
B1 |
1149 |
1167 |
1.015 |
112 |
211 |
|
|
5 |
B2 |
2835 |
2843 |
1.003 |
112 |
212 |
|
|
6 |
B2 |
1221 |
1249 |
1.023 |
112 |
213 |
H2O2 |
Hydrogen peroxide |
1 |
A |
3660 |
3599 |
0.983 |
113 |
214 |
|
|
2 |
A |
1393 |
1402 |
1.007 |
113 |
215 |
|
|
3 |
A |
903 |
877 |
0.971 |
113 |
216 |
|
|
4 |
A |
401 |
371 |
0.926 |
113 |
217 |
|
|
5 |
B |
3659 |
3608 |
0.986 |
113 |
218 |
|
|
6 |
B |
1293 |
1266 |
0.979 |
113 |
219 |
HNCO |
Isocyanic acid |
1 |
A' |
560 |
3538 |
6.319 |
114 |
220 |
|
|
2 |
A' |
783 |
2269 |
2.899 |
114 |
221 |
|
|
3 |
A' |
1295 |
1327 |
1.024 |
114 |
222 |
|
|
4 |
A' |
2287 |
777 |
0.340 |
114 |
223 |
|
|
5 |
A' |
3605 |
577 |
0.160 |
114 |
224 |
|
|
6 |
A" |
611 |
656 |
1.073 |
114 |
225 |
HNO2 |
Nitrous acid |
1 |
A' |
548 |
3591 |
6.547 |
115 |
226 |
|
|
2 |
A' |
769 |
1700 |
2.210 |
115 |
227 |
|
|
3 |
A' |
1232 |
1263 |
1.026 |
115 |
228 |
|
|
4 |
A' |
1731 |
790 |
0.456 |
115 |
229 |
|
|
5 |
A' |
3658 |
596 |
0.163 |
115 |
230 |
|
|
6 |
A" |
590 |
543 |
0.920 |
115 |
231 |
B2O2 |
Diboron dioxide |
1 |
Σg |
603 |
2060 |
3.418 |
116 |
232 |
|
|
2 |
Σg |
2052 |
585 |
0.285 |
116 |
233 |
|
|
3 |
Σu |
1893 |
1898 |
1.003 |
116 |
234 |
|
|
4 |
Πg |
481 |
410 |
0.852 |
116 |
235 |
|
|
5 |
Πu |
204 |
213 |
1.045 |
116 |
236 |
H2CS |
Thioformaldehyde |
1 |
A1 |
2981 |
2971 |
0.997 |
117 |
237 |
|
|
2 |
A1 |
1439 |
1456 |
1.012 |
117 |
238 |
|
|
3 |
A1 |
1071 |
1059 |
0.989 |
117 |
239 |
|
|
4 |
B1 |
987 |
990 |
1.003 |
117 |
240 |
|
|
5 |
B2 |
3059 |
3025 |
0.989 |
117 |
241 |
|
|
6 |
B2 |
970 |
991 |
1.022 |
117 |
242 |
H2S2 |
Disulfane |
1 |
A |
2559 |
2556 |
0.999 |
118 |
243 |
|
|
2 |
A |
863 |
882 |
1.022 |
118 |
244 |
|
|
3 |
A |
498 |
515 |
1.032 |
118 |
245 |
|
|
4 |
A |
444 |
417 |
0.939 |
118 |
246 |
|
|
5 |
B |
2562 |
2559 |
0.999 |
118 |
247 |
|
|
6 |
B |
864 |
878 |
1.016 |
118 |
248 |
SO3 |
Sulfur trioxide |
1 |
A1' |
1024 |
1065 |
1.041 |
119 |
249 |
|
|
2 |
A2" |
469 |
498 |
1.062 |
119 |
250 |
|
|
3 |
E' |
1345 |
1391 |
1.034 |
119 |
251 |
|
|
4 |
E' |
496 |
530 |
1.069 |
119 |
252 |
BHF2 |
Difluoroborane |
1 |
A1 |
520 |
2621 |
5.042 |
120 |
253 |
|
|
2 |
A1 |
1132 |
1164 |
1.029 |
120 |
254 |
|
|
3 |
A1 |
2623 |
542 |
0.207 |
120 |
255 |
|
|
4 |
B1 |
886 |
924 |
1.042 |
120 |
256 |
|
|
5 |
B2 |
1051 |
1402 |
1.334 |
120 |
257 |
CF2O |
Carbonic difluoride |
1 |
A1 |
1908 |
1928 |
1.010 |
121 |
258 |
|
|
2 |
A1 |
928 |
965 |
1.039 |
121 |
259 |
|
|
3 |
A1 |
557 |
584 |
1.048 |
121 |
260 |
|
|
4 |
B1 |
747 |
774 |
1.037 |
121 |
261 |
|
|
5 |
B2 |
1161 |
1249 |
1.075 |
121 |
262 |
|
|
6 |
B2 |
592 |
626 |
1.058 |
121 |
263 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
859 |
888 |
1.033 |
122 |
264 |
|
|
2 |
A2" |
660 |
691 |
1.048 |
122 |
265 |
|
|
3 |
E' |
459 |
1449 |
3.156 |
122 |
266 |
|
|
4 |
E' |
1403 |
480 |
0.342 |
122 |
267 |
N2F2 |
Dinitrogen difluoride, (E)- |
1 |
Ag |
590 |
1523 |
2.582 |
123 |
268 |
|
|
2 |
Ag |
991 |
1018 |
1.027 |
123 |
269 |
|
|
3 |
Ag |
1510 |
603 |
0.399 |
123 |
270 |
|
|
4 |
Au |
352 |
364 |
1.033 |
123 |
271 |
|
|
5 |
Bu |
401 |
991 |
2.470 |
123 |
272 |
|
|
6 |
Bu |
966 |
423 |
0.438 |
123 |
273 |
CF3 |
Trifluoromethyl radical |
1 |
A1 |
1036 |
1089 |
1.051 |
124 |
274 |
|
|
2 |
A1 |
676 |
701 |
1.036 |
124 |
275 |
|
|
3 |
E |
1184 |
1260 |
1.065 |
124 |
276 |
|
|
4 |
E |
485 |
509 |
1.048 |
124 |
277 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
1007 |
1032 |
1.025 |
125 |
278 |
|
|
2 |
A1 |
612 |
647 |
1.058 |
125 |
279 |
|
|
3 |
E |
804 |
907 |
1.128 |
125 |
280 |
|
|
4 |
E |
456 |
492 |
1.080 |
125 |
281 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
437 |
892 |
2.040 |
126 |
282 |
|
|
2 |
A1 |
822 |
487 |
0.593 |
126 |
283 |
|
|
3 |
E |
311 |
860 |
2.768 |
126 |
284 |
|
|
4 |
E |
791 |
344 |
0.435 |
126 |
285 |
BHCl2 |
Borane, dichloro- |
1 |
A1 |
284 |
2617 |
9.214 |
127 |
286 |
|
|
2 |
A1 |
720 |
740 |
1.028 |
127 |
287 |
|
|
4 |
B1 |
753 |
784 |
1.041 |
127 |
288 |
|
|
5 |
B2 |
881 |
1089 |
1.237 |
127 |
289 |
|
|
6 |
B2 |
1055 |
892 |
0.845 |
127 |
290 |
ClNO2 |
Nitryl chloride |
1 |
A1 |
352 |
1267 |
3.596 |
128 |
291 |
|
|
2 |
A1 |
776 |
793 |
1.022 |
128 |
292 |
|
|
3 |
A1 |
1313 |
364 |
0.277 |
128 |
293 |
|
|
4 |
B1 |
649 |
652 |
1.005 |
128 |
294 |
|
|
5 |
B2 |
392 |
1684 |
4.299 |
128 |
295 |
|
|
6 |
B2 |
1754 |
408 |
0.233 |
128 |
296 |
C2Cl2 |
dichloroacetylene |
4 |
Πg |
379 |
333 |
0.879 |
129 |
297 |
|
|
5 |
Πu |
182 |
172 |
0.946 |
129 |
298 |
CCl2O |
Phosgene |
1 |
A1 |
296 |
1827 |
6.166 |
130 |
299 |
|
|
2 |
A1 |
556 |
567 |
1.021 |
130 |
300 |
|
|
3 |
A1 |
1817 |
285 |
0.157 |
130 |
301 |
|
|
4 |
B1 |
572 |
580 |
1.013 |
130 |
302 |
|
|
5 |
B2 |
423 |
849 |
2.008 |
130 |
303 |
|
|
6 |
B2 |
793 |
440 |
0.555 |
130 |
304 |
AlF2Cl |
Aluminum chloride difluoride |
1 |
A1 |
222 |
820 |
3.698 |
131 |
305 |
|
|
2 |
A1 |
494 |
500 |
1.012 |
131 |
306 |
|
|
3 |
A1 |
791 |
250 |
0.316 |
131 |
307 |
|
|
4 |
B1 |
251 |
260 |
1.037 |
131 |
308 |
|
|
5 |
B2 |
177 |
900 |
5.084 |
131 |
309 |
|
|
6 |
B2 |
900 |
200 |
0.222 |
131 |
310 |
BCl3 |
Borane, trichloro- |
1 |
A1' |
464 |
471 |
1.016 |
132 |
311 |
|
|
2 |
A2" |
441 |
460 |
1.044 |
132 |
312 |
|
|
3 |
E' |
930 |
956 |
1.028 |
132 |
313 |
|
|
4 |
E' |
248 |
243 |
0.981 |
132 |
314 |
AlFCl2 |
Aluminum dichloride fluoride |
1 |
A1 |
143 |
850 |
5.933 |
133 |
315 |
|
|
2 |
A1 |
424 |
450 |
1.060 |
133 |
316 |
|
|
3 |
A1 |
840 |
150 |
0.179 |
133 |
317 |
|
|
4 |
B1 |
224 |
220 |
0.981 |
133 |
318 |
|
|
5 |
B2 |
192 |
610 |
3.174 |
133 |
319 |
|
|
6 |
B2 |
621 |
200 |
0.322 |
133 |
320 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
375 |
375 |
1.001 |
134 |
321 |
|
|
2 |
A2" |
196 |
183 |
0.936 |
134 |
322 |
|
|
3 |
E' |
138 |
595 |
4.304 |
134 |
323 |
|
|
4 |
E' |
607 |
150 |
0.247 |
134 |
324 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
243 |
504 |
2.077 |
135 |
325 |
|
|
2 |
A1 |
490 |
252 |
0.514 |
135 |
326 |
|
|
3 |
E |
174 |
482 |
2.769 |
135 |
327 |
|
|
4 |
E |
472 |
198 |
0.420 |
135 |
328 |
ClSSCl |
Disulfur dichloride |
1 |
A |
95 |
546 |
5.769 |
136 |
329 |
|
|
2 |
A |
203 |
466 |
2.292 |
136 |
330 |
|
|
3 |
A |
419 |
202 |
0.482 |
136 |
331 |
|
|
4 |
A |
570 |
95 |
0.167 |
136 |
332 |
|
|
5 |
B |
226 |
461 |
2.042 |
136 |
333 |
|
|
6 |
B |
402 |
244 |
0.606 |
136 |
334 |
CH4 |
Methane |
1 |
A1 |
2971 |
2917 |
0.982 |
137 |
335 |
|
|
2 |
E |
1510 |
1534 |
1.016 |
137 |
336 |
|
|
3 |
T2 |
3084 |
3019 |
0.979 |
137 |
337 |
|
|
4 |
T2 |
1287 |
1306 |
1.015 |
137 |
338 |
SiH4 |
Silane |
1 |
A1 |
2170 |
2187 |
1.008 |
138 |
339 |
|
|
2 |
E |
939 |
975 |
1.038 |
138 |
340 |
|
|
3 |
T2 |
2185 |
2191 |
1.003 |
138 |
341 |
|
|
4 |
T2 |
870 |
914 |
1.051 |
138 |
342 |
CH2NH |
Methanimine |
1 |
A' |
3347 |
3263 |
0.975 |
139 |
343 |
|
|
2 |
A' |
3031 |
3024 |
0.998 |
139 |
344 |
|
|
3 |
A' |
2931 |
2914 |
0.994 |
139 |
345 |
|
|
4 |
A' |
1660 |
1638 |
0.987 |
139 |
346 |
|
|
5 |
A' |
1443 |
1452 |
1.006 |
139 |
347 |
|
|
6 |
A' |
1321 |
1344 |
1.018 |
139 |
348 |
|
|
7 |
A' |
1035 |
1058 |
1.023 |
139 |
349 |
|
|
8 |
A" |
1130 |
1127 |
0.997 |
139 |
350 |
|
|
9 |
A" |
1054 |
1061 |
1.006 |
139 |
351 |
NH2OH |
hydroxylamine |
1 |
A' |
3718 |
3650 |
0.982 |
140 |
352 |
|
|
2 |
A' |
3349 |
3294 |
0.984 |
140 |
353 |
|
|
3 |
A' |
1614 |
1605 |
0.994 |
140 |
354 |
|
|
4 |
A' |
1362 |
1353 |
0.993 |
140 |
355 |
|
|
5 |
A' |
1121 |
1115 |
0.995 |
140 |
356 |
|
|
6 |
A' |
890 |
895 |
1.006 |
140 |
357 |
|
|
7 |
A" |
3427 |
3359 |
0.980 |
140 |
358 |
|
|
8 |
A" |
1291 |
1295 |
1.003 |
140 |
359 |
|
|
9 |
A" |
409 |
386 |
0.944 |
140 |
360 |
CH2CO |
Ketene |
1 |
A1 |
3115 |
3070 |
0.986 |
141 |
361 |
|
|
2 |
A1 |
2174 |
2152 |
0.990 |
141 |
362 |
|
|
3 |
A1 |
1352 |
1388 |
1.026 |
141 |
363 |
|
|
4 |
A1 |
1140 |
1118 |
0.981 |
141 |
364 |
|
|
5 |
B1 |
561 |
588 |
1.048 |
141 |
365 |
|
|
6 |
B1 |
501 |
528 |
1.054 |
141 |
366 |
|
|
7 |
B2 |
3206 |
3166 |
0.988 |
141 |
367 |
|
|
8 |
B2 |
944 |
977 |
1.035 |
141 |
368 |
|
|
9 |
B2 |
425 |
433 |
1.018 |
141 |
369 |
HCOOH |
Formic acid |
1 |
A' |
3616 |
3570 |
0.987 |
142 |
370 |
|
|
2 |
A' |
2961 |
2943 |
0.994 |
142 |
371 |
|
|
3 |
A' |
1765 |
1770 |
1.003 |
142 |
372 |
|
|
4 |
A' |
1351 |
1387 |
1.027 |
142 |
373 |
|
|
5 |
A' |
1256 |
1229 |
0.978 |
142 |
374 |
|
|
6 |
A' |
1083 |
1105 |
1.021 |
142 |
375 |
|
|
7 |
A' |
605 |
625 |
1.033 |
142 |
376 |
|
|
8 |
A" |
1003 |
1033 |
1.030 |
142 |
377 |
|
|
9 |
A" |
678 |
638 |
0.941 |
142 |
378 |
HNO3 |
Nitric acid |
1 |
A' |
3620 |
3550 |
0.981 |
143 |
379 |
|
|
2 |
A' |
1720 |
1708 |
0.993 |
143 |
380 |
|
|
3 |
A' |
1304 |
1331 |
1.021 |
143 |
381 |
|
|
4 |
A' |
1267 |
1325 |
1.046 |
143 |
382 |
|
|
5 |
A' |
845 |
879 |
1.041 |
143 |
383 |
|
|
6 |
A' |
601 |
647 |
1.076 |
143 |
384 |
|
|
7 |
A' |
555 |
579 |
1.043 |
143 |
385 |
|
|
8 |
A" |
752 |
762 |
1.013 |
143 |
386 |
|
|
9 |
A" |
486 |
456 |
0.938 |
143 |
387 |
C3O2 |
Carbon suboxide |
1 |
Σg |
2199 |
2196 |
0.999 |
144 |
388 |
|
|
2 |
Σg |
763 |
786 |
1.031 |
144 |
389 |
|
|
3 |
Σu |
2361 |
2258 |
0.956 |
144 |
390 |
|
|
4 |
Σu |
1595 |
1573 |
0.987 |
144 |
391 |
|
|
5 |
Πg |
562 |
573 |
1.020 |
144 |
392 |
|
|
6 |
Πu |
525 |
550 |
1.048 |
144 |
393 |
|
|
7 |
Πu |
49 |
61 |
1.257 |
144 |
394 |
CH3F |
Methyl fluoride |
1 |
A1 |
2956 |
2930 |
0.991 |
145 |
395 |
|
|
2 |
A1 |
1429 |
1464 |
1.024 |
145 |
396 |
|
|
3 |
A1 |
1024 |
1049 |
1.025 |
145 |
397 |
|
|
4 |
E |
3040 |
3006 |
0.989 |
145 |
398 |
|
|
5 |
E |
1442 |
1467 |
1.018 |
145 |
399 |
|
|
6 |
E |
1154 |
1182 |
1.024 |
145 |
400 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
2963 |
2948 |
0.995 |
146 |
401 |
|
|
2 |
A1 |
1470 |
1508 |
1.026 |
146 |
402 |
|
|
3 |
A1 |
1075 |
1111 |
1.033 |
146 |
403 |
|
|
4 |
A1 |
506 |
529 |
1.044 |
146 |
404 |
|
|
5 |
A2 |
1221 |
1262 |
1.034 |
146 |
405 |
|
|
6 |
B1 |
3032 |
3014 |
0.994 |
146 |
406 |
|
|
7 |
B1 |
1141 |
1178 |
1.033 |
146 |
407 |
|
|
8 |
B2 |
1393 |
1435 |
1.030 |
146 |
408 |
|
|
9 |
B2 |
1029 |
1090 |
1.059 |
146 |
409 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
3031 |
3036 |
1.002 |
147 |
410 |
|
|
2 |
A1 |
1095 |
1117 |
1.020 |
147 |
411 |
|
|
3 |
A1 |
669 |
700 |
1.046 |
147 |
412 |
|
|
4 |
E |
1322 |
1372 |
1.038 |
147 |
413 |
|
|
5 |
E |
1085 |
1152 |
1.062 |
147 |
414 |
|
|
6 |
E |
482 |
507 |
1.052 |
147 |
415 |
FNO3 |
Fluorine nitrate |
1 |
A' |
265 |
1759 |
6.650 |
148 |
416 |
|
|
2 |
A' |
409 |
1301 |
3.184 |
148 |
417 |
|
|
3 |
A' |
613 |
928 |
1.514 |
148 |
418 |
|
|
4 |
A' |
776 |
804 |
1.036 |
148 |
419 |
|
|
5 |
A' |
939 |
633 |
0.674 |
148 |
420 |
|
|
6 |
A' |
1316 |
455 |
0.346 |
148 |
421 |
|
|
7 |
A' |
1805 |
303 |
0.168 |
148 |
422 |
|
|
8 |
A" |
175 |
709 |
4.040 |
148 |
423 |
|
|
9 |
A" |
689 |
152 |
0.221 |
148 |
424 |
CF4 |
Carbon tetrafluoride |
1 |
A1 |
869 |
909 |
1.046 |
149 |
425 |
|
|
2 |
E |
410 |
435 |
1.060 |
149 |
426 |
|
|
3 |
T2 |
598 |
1283 |
2.146 |
149 |
427 |
|
|
4 |
T2 |
1189 |
631 |
0.531 |
149 |
428 |
SiH3F |
monofluorosilane |
1 |
A1 |
2182 |
2206 |
1.011 |
150 |
429 |
|
|
2 |
A1 |
945 |
990 |
1.048 |
150 |
430 |
|
|
3 |
A1 |
820 |
872 |
1.063 |
150 |
431 |
|
|
4 |
E |
2195 |
2196 |
1.000 |
150 |
432 |
|
|
5 |
E |
922 |
956 |
1.037 |
150 |
433 |
|
|
6 |
E |
690 |
728 |
1.055 |
150 |
434 |
SiF4 |
Silicon tetrafluoride |
1 |
A1 |
744 |
800 |
1.076 |
151 |
435 |
|
|
2 |
E |
246 |
268 |
1.091 |
151 |
436 |
|
|
3 |
T2 |
365 |
1032 |
2.828 |
151 |
437 |
|
|
4 |
T2 |
971 |
389 |
0.401 |
151 |
438 |
F3PO |
Phosphoryl fluoride |
1 |
A1 |
445 |
1417 |
3.187 |
152 |
439 |
|
|
2 |
A1 |
803 |
873 |
1.088 |
152 |
440 |
|
|
3 |
A1 |
1364 |
472 |
0.346 |
152 |
441 |
|
|
4 |
E |
307 |
991 |
3.231 |
152 |
442 |
|
|
5 |
E |
437 |
482 |
1.104 |
152 |
443 |
|
|
6 |
E |
919 |
336 |
0.365 |
152 |
444 |
SiH3Cl |
chlorosilane |
1 |
A1 |
2179 |
2201 |
1.010 |
153 |
445 |
|
|
2 |
A1 |
906 |
949 |
1.047 |
153 |
446 |
|
|
3 |
A1 |
531 |
551 |
1.037 |
153 |
447 |
|
|
4 |
E |
2196 |
2195 |
1.000 |
153 |
448 |
|
|
5 |
E |
914 |
954 |
1.044 |
153 |
449 |
|
|
6 |
E |
632 |
664 |
1.051 |
153 |
450 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
3038 |
2999 |
0.987 |
154 |
451 |
|
|
2 |
A1 |
1409 |
1467 |
1.041 |
154 |
452 |
|
|
3 |
A1 |
697 |
717 |
1.028 |
154 |
453 |
|
|
4 |
A1 |
276 |
282 |
1.022 |
154 |
454 |
|
|
5 |
A2 |
1134 |
1153 |
1.017 |
154 |
455 |
|
|
6 |
B1 |
3112 |
3040 |
0.977 |
154 |
456 |
|
|
7 |
B1 |
874 |
898 |
1.027 |
154 |
457 |
|
|
8 |
B2 |
1238 |
1268 |
1.025 |
154 |
458 |
|
|
9 |
B2 |
710 |
758 |
1.068 |
154 |
459 |
CF3Cl |
Methane, chlorotrifluoro- |
1 |
A1 |
1030 |
1105 |
1.072 |
155 |
460 |
|
|
2 |
A1 |
751 |
781 |
1.040 |
155 |
461 |
|
|
3 |
A1 |
451 |
476 |
1.056 |
155 |
462 |
|
|
4 |
E |
1138 |
1212 |
1.065 |
155 |
463 |
|
|
5 |
E |
536 |
563 |
1.051 |
155 |
464 |
|
|
6 |
E |
331 |
350 |
1.057 |
155 |
465 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2192 |
2224 |
1.015 |
156 |
466 |
|
|
2 |
A1 |
914 |
954 |
1.044 |
156 |
467 |
|
|
3 |
A1 |
508 |
527 |
1.037 |
156 |
468 |
|
|
4 |
A1 |
178 |
188 |
1.056 |
156 |
469 |
|
|
5 |
A2 |
677 |
710 |
1.049 |
156 |
470 |
|
|
6 |
B1 |
2209 |
2237 |
1.013 |
156 |
471 |
|
|
7 |
B1 |
569 |
602 |
1.058 |
156 |
472 |
|
|
8 |
B2 |
831 |
876 |
1.054 |
156 |
473 |
|
|
9 |
B2 |
569 |
590 |
1.038 |
156 |
474 |
ClFO3 |
Perchloryl fluoride |
1 |
A1 |
496 |
1061 |
2.140 |
157 |
475 |
|
|
2 |
A1 |
654 |
715 |
1.094 |
157 |
476 |
|
|
3 |
A1 |
1016 |
549 |
0.540 |
157 |
477 |
|
|
4 |
E |
363 |
1315 |
3.621 |
157 |
478 |
|
|
5 |
E |
543 |
589 |
1.084 |
157 |
479 |
|
|
6 |
E |
1269 |
405 |
0.319 |
157 |
480 |
CHCl3 |
Chloroform |
1 |
A1 |
3084 |
3034 |
0.984 |
158 |
481 |
|
|
2 |
A1 |
655 |
680 |
1.037 |
158 |
482 |
|
|
3 |
A1 |
358 |
366 |
1.021 |
158 |
483 |
|
|
4 |
E |
1185 |
1220 |
1.029 |
158 |
484 |
|
|
5 |
E |
712 |
774 |
1.088 |
158 |
485 |
|
|
6 |
E |
252 |
260 |
1.030 |
158 |
486 |
CF2Cl2 |
difluorodichloromethane |
1 |
A1 |
1039 |
1101 |
1.060 |
159 |
487 |
|
|
2 |
A1 |
643 |
667 |
1.037 |
159 |
488 |
|
|
3 |
A1 |
435 |
458 |
1.052 |
159 |
489 |
|
|
4 |
A1 |
251 |
262 |
1.044 |
159 |
490 |
|
|
5 |
A2 |
308 |
322 |
1.046 |
159 |
491 |
|
|
6 |
B1 |
836 |
902 |
1.078 |
159 |
492 |
|
|
7 |
B1 |
418 |
437 |
1.047 |
159 |
493 |
|
|
8 |
B2 |
1092 |
1159 |
1.061 |
159 |
494 |
|
|
9 |
B2 |
422 |
446 |
1.057 |
159 |
495 |
CFCl3 |
Trichloromonofluoromethane |
1 |
A1 |
339 |
1085 |
3.197 |
160 |
496 |
|
|
2 |
A1 |
517 |
535 |
1.035 |
160 |
497 |
|
|
3 |
A1 |
1029 |
350 |
0.340 |
160 |
498 |
|
|
4 |
E |
235 |
847 |
3.599 |
160 |
499 |
|
|
5 |
E |
384 |
394 |
1.027 |
160 |
500 |
|
|
6 |
E |
772 |
241 |
0.312 |
160 |
501 |
SO2Cl2 |
Sulfuryl chloride |
1 |
A1 |
192 |
1205 |
6.292 |
161 |
502 |
|
|
2 |
A1 |
371 |
577 |
1.555 |
161 |
503 |
|
|
3 |
A1 |
526 |
408 |
0.775 |
161 |
504 |
|
|
4 |
A1 |
1153 |
218 |
0.189 |
161 |
505 |
|
|
5 |
A2 |
257 |
282 |
1.098 |
161 |
506 |
|
|
6 |
B1 |
353 |
586 |
1.662 |
161 |
507 |
|
|
7 |
B1 |
543 |
388 |
0.715 |
161 |
508 |
|
|
8 |
B2 |
334 |
1434 |
4.288 |
161 |
509 |
|
|
9 |
B2 |
1389 |
362 |
0.261 |
161 |
510 |
SiHCl3 |
Trichlorosilane |
1 |
A1 |
241 |
2261 |
9.378 |
162 |
511 |
|
|
2 |
A1 |
475 |
499 |
1.050 |
162 |
512 |
|
|
3 |
A1 |
2229 |
254 |
0.114 |
162 |
513 |
|
|
4 |
E |
166 |
811 |
4.898 |
162 |
514 |
|
|
5 |
E |
578 |
600 |
1.037 |
162 |
515 |
|
|
6 |
E |
764 |
176 |
0.230 |
162 |
516 |
CCl4 |
Carbon tetrachloride |
1 |
A1 |
448 |
459 |
1.024 |
163 |
517 |
|
|
2 |
E |
211 |
217 |
1.029 |
163 |
518 |
|
|
3 |
T2 |
718 |
776 |
1.081 |
163 |
519 |
|
|
4 |
T2 |
306 |
314 |
1.026 |
163 |
520 |
Cl3PO |
Phosphoryl chloride |
1 |
A1 |
250 |
1322 |
5.279 |
164 |
521 |
|
|
2 |
A1 |
453 |
481 |
1.061 |
164 |
522 |
|
|
3 |
A1 |
1275 |
266 |
0.209 |
164 |
523 |
|
|
4 |
E |
177 |
590 |
3.342 |
164 |
524 |
|
|
5 |
E |
312 |
333 |
1.067 |
164 |
525 |
|
|
6 |
E |
557 |
187 |
0.335 |
164 |
526 |
SiCl4 |
Silane, tetrachloro- |
1 |
A1 |
403 |
424 |
1.052 |
165 |
527 |
|
|
2 |
E |
138 |
150 |
1.089 |
165 |
528 |
|
|
3 |
T2 |
210 |
621 |
2.955 |
165 |
529 |
|
|
4 |
T2 |
596 |
221 |
0.371 |
165 |
530 |
C2H4 |
Ethylene |
1 |
Ag |
3072 |
3026 |
0.985 |
166 |
531 |
|
|
2 |
Ag |
1640 |
1623 |
0.990 |
166 |
532 |
|
|
3 |
Ag |
1340 |
1342 |
1.002 |
166 |
533 |
|
|
4 |
Au |
1034 |
1023 |
0.990 |
166 |
534 |
|
|
5 |
B1u |
3056 |
2989 |
0.978 |
166 |
535 |
|
|
6 |
B1u |
1422 |
1444 |
1.015 |
166 |
536 |
|
|
7 |
B2g |
936 |
940 |
1.003 |
166 |
537 |
|
|
8 |
B2u |
3157 |
3105 |
0.983 |
166 |
538 |
|
|
9 |
B2u |
803 |
826 |
1.028 |
166 |
539 |
|
|
10 |
B3g |
3128 |
3086 |
0.986 |
166 |
540 |
|
|
11 |
B3g |
1199 |
1217 |
1.015 |
166 |
541 |
|
|
12 |
B3u |
940 |
949 |
1.010 |
166 |
542 |
C3H3 |
Propargyl radical |
1 |
A1 |
3389 |
3322 |
0.980 |
167 |
543 |
|
|
6 |
B1 |
674 |
687 |
1.020 |
167 |
544 |
|
|
7 |
B1 |
426 |
490 |
1.151 |
167 |
545 |
C4H2 |
Diacetylene |
6 |
Πg |
609 |
627 |
1.029 |
168 |
546 |
|
|
7 |
Πg |
528 |
482 |
0.912 |
168 |
547 |
|
|
8 |
Πu |
609 |
630 |
1.034 |
168 |
548 |
|
|
9 |
Πu |
230 |
231 |
1.006 |
168 |
549 |
N2H4 |
Hydrazine |
1 |
A |
3468 |
3398 |
0.980 |
169 |
550 |
|
|
2 |
A |
3374 |
3329 |
0.987 |
169 |
551 |
|
|
3 |
A |
1636 |
1642 |
1.004 |
169 |
552 |
|
|
4 |
A |
1291 |
1275 |
0.988 |
169 |
553 |
|
|
5 |
A |
1098 |
1076 |
0.980 |
169 |
554 |
|
|
6 |
A |
768 |
780 |
1.015 |
169 |
555 |
|
|
7 |
A |
434 |
377 |
0.868 |
169 |
556 |
|
|
8 |
B |
3474 |
3350 |
0.964 |
169 |
557 |
|
|
9 |
B |
3362 |
3314 |
0.986 |
169 |
558 |
|
|
10 |
B |
1624 |
1628 |
1.002 |
169 |
559 |
|
|
11 |
B |
1258 |
1275 |
1.013 |
169 |
560 |
|
|
12 |
B |
961 |
966 |
1.006 |
169 |
561 |
C4N2 |
2-Butynedinitrile |
1 |
Σg |
612 |
2290 |
3.743 |
170 |
562 |
|
|
2 |
Σg |
2124 |
2119 |
0.998 |
170 |
563 |
|
|
3 |
Σg |
2280 |
692 |
0.304 |
170 |
564 |
|
|
4 |
Σu |
1182 |
2241 |
1.896 |
170 |
565 |
|
|
5 |
Σu |
2248 |
1154 |
0.513 |
170 |
566 |
|
|
6 |
Πg |
274 |
504 |
1.842 |
170 |
567 |
|
|
7 |
Πg |
522 |
263 |
0.504 |
170 |
568 |
|
|
8 |
Πu |
110 |
472 |
4.302 |
170 |
569 |
|
|
9 |
Πu |
498 |
107 |
0.215 |
170 |
570 |
CH3OH |
Methyl alcohol |
1 |
A' |
3748 |
3681 |
0.982 |
171 |
571 |
|
|
2 |
A' |
3045 |
3000 |
0.985 |
171 |
572 |
|
|
3 |
A' |
2919 |
2844 |
0.974 |
171 |
573 |
|
|
4 |
A' |
1458 |
1477 |
1.013 |
171 |
574 |
|
|
5 |
A' |
1425 |
1455 |
1.021 |
171 |
575 |
|
|
6 |
A' |
1330 |
1345 |
1.011 |
171 |
576 |
|
|
7 |
A' |
1052 |
1060 |
1.008 |
171 |
577 |
|
|
8 |
A' |
1013 |
1033 |
1.020 |
171 |
578 |
|
|
9 |
A" |
2967 |
2960 |
0.998 |
171 |
579 |
|
|
10 |
A" |
1445 |
1477 |
1.022 |
171 |
580 |
|
|
11 |
A" |
1132 |
1165 |
1.029 |
171 |
581 |
|
|
12 |
A" |
289 |
200 |
0.691 |
171 |
582 |
CHONH2 |
formamide |
1 |
A' |
546 |
3564 |
6.522 |
172 |
583 |
|
|
2 |
A' |
1017 |
3439 |
3.382 |
172 |
584 |
|
|
3 |
A' |
1233 |
2854 |
2.314 |
172 |
585 |
|
|
4 |
A' |
1366 |
1754 |
1.284 |
172 |
586 |
|
|
5 |
A' |
1560 |
1577 |
1.011 |
172 |
587 |
|
|
6 |
A' |
1747 |
1390 |
0.796 |
172 |
588 |
|
|
7 |
A' |
2846 |
1258 |
0.442 |
172 |
589 |
|
|
8 |
A' |
3494 |
1046 |
0.299 |
172 |
590 |
|
|
9 |
A' |
3634 |
581 |
0.160 |
172 |
591 |
|
|
10 |
A" |
244 |
1021 |
4.189 |
172 |
592 |
|
|
11 |
A" |
634 |
603 |
0.951 |
172 |
593 |
|
|
12 |
A" |
992 |
289 |
0.291 |
172 |
594 |
C2H2O2 |
Ethanedial |
1 |
Ag |
2840 |
2843 |
1.001 |
173 |
595 |
|
|
2 |
Ag |
1737 |
1745 |
1.005 |
173 |
596 |
|
|
3 |
Ag |
1329 |
1338 |
1.007 |
173 |
597 |
|
|
4 |
Ag |
1028 |
1065 |
1.036 |
173 |
598 |
|
|
5 |
Ag |
533 |
551 |
1.034 |
173 |
599 |
|
|
6 |
Au |
769 |
801 |
1.041 |
173 |
600 |
|
|
7 |
Au |
106 |
127 |
1.197 |
173 |
601 |
|
|
8 |
Bg |
1034 |
1048 |
1.014 |
173 |
602 |
|
|
9 |
Bu |
2834 |
2835 |
1.000 |
173 |
603 |
|
|
10 |
Bu |
1746 |
1732 |
0.992 |
173 |
604 |
|
|
11 |
Bu |
1286 |
1312 |
1.020 |
173 |
605 |
|
|
12 |
Bu |
322 |
339 |
1.054 |
173 |
606 |
CH3SH |
Methanethiol |
1 |
A' |
3072 |
3000 |
0.976 |
174 |
607 |
|
|
2 |
A' |
2986 |
2931 |
0.982 |
174 |
608 |
|
|
3 |
A' |
2619 |
2597 |
0.992 |
174 |
609 |
|
|
4 |
A' |
1436 |
1475 |
1.027 |
174 |
610 |
|
|
5 |
A' |
1305 |
1335 |
1.023 |
174 |
611 |
|
|
6 |
A' |
1060 |
1074 |
1.014 |
174 |
612 |
|
|
7 |
A' |
778 |
803 |
1.032 |
174 |
613 |
|
|
8 |
A' |
691 |
708 |
1.024 |
174 |
614 |
|
|
9 |
A" |
3071 |
3000 |
0.977 |
174 |
615 |
|
|
10 |
A" |
1424 |
1430 |
1.004 |
174 |
616 |
|
|
11 |
A" |
939 |
976 |
1.040 |
174 |
617 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3193 |
3115 |
0.975 |
175 |
618 |
|
|
2 |
A' |
3119 |
3080 |
0.988 |
175 |
619 |
|
|
3 |
A' |
3096 |
3052 |
0.986 |
175 |
620 |
|
|
4 |
A' |
1655 |
1654 |
0.999 |
175 |
621 |
|
|
5 |
A' |
1359 |
1380 |
1.015 |
175 |
622 |
|
|
6 |
A' |
1290 |
1306 |
1.013 |
175 |
623 |
|
|
7 |
A' |
1132 |
1156 |
1.021 |
175 |
624 |
|
|
8 |
A' |
906 |
929 |
1.025 |
175 |
625 |
|
|
9 |
A' |
471 |
483 |
1.025 |
175 |
626 |
|
|
10 |
A" |
928 |
940 |
1.013 |
175 |
627 |
|
|
11 |
A" |
844 |
863 |
1.022 |
175 |
628 |
|
|
12 |
A" |
708 |
711 |
1.004 |
175 |
629 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
533 |
3070 |
5.759 |
176 |
630 |
|
|
2 |
A1 |
913 |
1728 |
1.893 |
176 |
631 |
|
|
3 |
A1 |
1358 |
1360 |
1.002 |
176 |
632 |
|
|
4 |
A1 |
1716 |
926 |
0.540 |
176 |
633 |
|
|
5 |
A1 |
3129 |
550 |
0.176 |
176 |
634 |
|
|
6 |
A2 |
692 |
714 |
1.032 |
176 |
635 |
|
|
7 |
B1 |
610 |
803 |
1.315 |
176 |
636 |
|
|
8 |
B1 |
775 |
611 |
0.789 |
176 |
637 |
|
|
9 |
B2 |
426 |
3154 |
7.403 |
176 |
638 |
|
|
10 |
B2 |
924 |
1302 |
1.409 |
176 |
639 |
|
|
11 |
B2 |
1251 |
955 |
0.763 |
176 |
640 |
|
|
12 |
B2 |
3228 |
438 |
0.136 |
176 |
641 |
CF3CN |
Acetonitrile, trifluoro- |
1 |
A1 |
503 |
2275 |
4.521 |
177 |
642 |
|
|
2 |
A1 |
781 |
1227 |
1.571 |
177 |
643 |
|
|
3 |
A1 |
1175 |
802 |
0.682 |
177 |
644 |
|
|
4 |
A1 |
2290 |
522 |
0.228 |
177 |
645 |
|
|
5 |
E |
187 |
1214 |
6.509 |
177 |
646 |
|
|
6 |
E |
444 |
618 |
1.391 |
177 |
647 |
|
|
7 |
E |
604 |
463 |
0.766 |
177 |
648 |
|
|
8 |
E |
1120 |
196 |
0.175 |
177 |
649 |
C2F4 |
Tetrafluoroethylene |
1 |
Ag |
386 |
1872 |
4.846 |
178 |
650 |
|
|
2 |
Ag |
772 |
778 |
1.008 |
178 |
651 |
|
|
3 |
Ag |
1838 |
394 |
0.214 |
178 |
652 |
|
|
4 |
Au |
190 |
190 |
0.999 |
178 |
653 |
|
|
5 |
B1u |
537 |
1186 |
2.208 |
178 |
654 |
|
|
6 |
B1u |
1153 |
558 |
0.484 |
178 |
655 |
|
|
7 |
B2g |
504 |
508 |
1.008 |
178 |
656 |
|
|
8 |
B2u |
202 |
1337 |
6.631 |
178 |
657 |
|
|
9 |
B2u |
1283 |
218 |
0.170 |
178 |
658 |
|
|
10 |
B3g |
535 |
1340 |
2.505 |
178 |
659 |
|
|
11 |
B3g |
1282 |
551 |
0.430 |
178 |
660 |
|
|
12 |
B3u |
398 |
406 |
1.021 |
178 |
661 |
PF5 |
Phosphorus pentafluoride |
1 |
A1' |
748 |
816 |
1.090 |
179 |
662 |
|
|
2 |
A1' |
606 |
648 |
1.069 |
179 |
663 |
|
|
3 |
A2" |
896 |
947 |
1.057 |
179 |
664 |
|
|
4 |
A2" |
534 |
575 |
1.078 |
179 |
665 |
|
|
5 |
E' |
953 |
1024 |
1.075 |
179 |
666 |
|
|
6 |
E' |
492 |
533 |
1.082 |
179 |
667 |
|
|
7 |
E' |
152 |
174 |
1.147 |
179 |
668 |
|
|
8 |
E" |
473 |
520 |
1.100 |
179 |
669 |
HSO3F |
Fluorosulfonic acid |
1 |
A |
268 |
3602 |
13.449 |
180 |
670 |
|
|
2 |
A |
346 |
1486 |
4.300 |
180 |
671 |
|
|
3 |
A |
392 |
1243 |
3.169 |
180 |
672 |
|
|
4 |
A |
479 |
1150 |
2.402 |
180 |
673 |
|
|
5 |
A |
499 |
896 |
1.795 |
180 |
674 |
|
|
6 |
A |
514 |
823 |
1.602 |
180 |
675 |
|
|
7 |
A |
745 |
562 |
0.755 |
180 |
676 |
|
|
8 |
A |
826 |
551 |
0.667 |
180 |
677 |
|
|
9 |
A |
1121 |
518 |
0.462 |
180 |
678 |
|
|
10 |
A |
1197 |
409 |
0.342 |
180 |
679 |
|
|
11 |
A |
1440 |
390 |
0.271 |
180 |
680 |
|
|
12 |
A |
3660 |
266 |
0.073 |
180 |
681 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
390 |
3121 |
7.997 |
181 |
682 |
|
|
2 |
A' |
703 |
3086 |
4.391 |
181 |
683 |
|
|
3 |
A' |
1006 |
3030 |
3.011 |
181 |
684 |
|
|
4 |
A' |
1259 |
1608 |
1.277 |
181 |
685 |
|
|
5 |
A' |
1357 |
1368 |
1.008 |
181 |
686 |
|
|
6 |
A' |
1613 |
1279 |
0.793 |
181 |
687 |
|
|
7 |
A' |
3083 |
1030 |
0.334 |
181 |
688 |
|
|
8 |
A' |
3127 |
720 |
0.230 |
181 |
689 |
|
|
9 |
A' |
3175 |
395 |
0.124 |
181 |
690 |
|
|
10 |
A" |
621 |
941 |
1.516 |
181 |
691 |
|
|
11 |
A" |
880 |
896 |
1.018 |
181 |
692 |
|
|
12 |
A" |
942 |
620 |
0.658 |
181 |
693 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
295 |
3035 |
10.284 |
182 |
694 |
|
|
2 |
A1 |
595 |
1627 |
2.736 |
182 |
695 |
|
|
3 |
A1 |
1353 |
1400 |
1.035 |
182 |
696 |
|
|
4 |
A1 |
1608 |
603 |
0.375 |
182 |
697 |
|
|
5 |
A1 |
3101 |
299 |
0.096 |
182 |
698 |
|
|
6 |
A2 |
665 |
686 |
1.032 |
182 |
699 |
|
|
7 |
B1 |
468 |
875 |
1.871 |
182 |
700 |
|
|
8 |
B1 |
841 |
460 |
0.547 |
182 |
701 |
|
|
9 |
B2 |
368 |
3130 |
8.513 |
182 |
702 |
|
|
10 |
B2 |
753 |
1095 |
1.455 |
182 |
703 |
|
|
11 |
B2 |
1054 |
800 |
0.759 |
182 |
704 |
|
|
12 |
B2 |
3196 |
372 |
0.116 |
182 |
705 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
161 |
3077 |
19.071 |
183 |
706 |
|
|
2 |
A1 |
711 |
1587 |
2.231 |
183 |
707 |
|
|
3 |
A1 |
1171 |
1179 |
1.007 |
183 |
708 |
|
|
4 |
A1 |
1594 |
711 |
0.446 |
183 |
709 |
|
|
5 |
A1 |
3143 |
173 |
0.055 |
183 |
710 |
|
|
6 |
A2 |
413 |
876 |
2.122 |
183 |
711 |
|
|
7 |
A2 |
860 |
406 |
0.472 |
183 |
712 |
|
|
8 |
B1 |
683 |
697 |
1.020 |
183 |
713 |
|
|
9 |
B2 |
568 |
3072 |
5.413 |
183 |
714 |
|
|
10 |
B2 |
844 |
1303 |
1.544 |
183 |
715 |
|
|
11 |
B2 |
1268 |
857 |
0.676 |
183 |
716 |
|
|
12 |
B2 |
3122 |
571 |
0.183 |
183 |
717 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
347 |
3073 |
8.865 |
184 |
718 |
|
|
2 |
Ag |
838 |
1578 |
1.883 |
184 |
719 |
|
|
3 |
Ag |
1256 |
1274 |
1.014 |
184 |
720 |
|
|
4 |
Ag |
1590 |
846 |
0.532 |
184 |
721 |
|
|
5 |
Ag |
3142 |
350 |
0.111 |
184 |
722 |
|
|
6 |
Au |
209 |
900 |
4.312 |
184 |
723 |
|
|
7 |
Au |
891 |
227 |
0.255 |
184 |
724 |
|
|
8 |
Bg |
765 |
763 |
0.998 |
184 |
725 |
|
|
9 |
Bu |
231 |
3090 |
13.369 |
184 |
726 |
|
|
10 |
Bu |
815 |
1200 |
1.473 |
184 |
727 |
|
|
11 |
Bu |
1178 |
828 |
0.703 |
184 |
728 |
|
|
12 |
Bu |
3139 |
250 |
0.080 |
184 |
729 |
CHClCCl2 |
Trichloroethylene |
1 |
A' |
166 |
3082 |
18.583 |
185 |
730 |
|
|
2 |
A' |
272 |
1586 |
5.823 |
185 |
731 |
|
|
3 |
A' |
381 |
1247 |
3.269 |
185 |
732 |
|
|
4 |
A' |
623 |
931 |
1.494 |
185 |
733 |
|
|
5 |
A' |
831 |
840 |
1.011 |
185 |
734 |
|
|
6 |
A' |
899 |
630 |
0.701 |
185 |
735 |
|
|
7 |
A' |
1222 |
384 |
0.314 |
185 |
736 |
|
|
8 |
A' |
1583 |
277 |
0.175 |
185 |
737 |
|
|
9 |
A' |
3149 |
178 |
0.057 |
185 |
738 |
|
|
10 |
A" |
200 |
780 |
3.907 |
185 |
739 |
|
|
11 |
A" |
461 |
451 |
0.979 |
185 |
740 |
|
|
12 |
A" |
765 |
215 |
0.281 |
185 |
741 |
B2Cl4 |
Diboron tetrachloride |
1 |
A1 |
1104 |
1122 |
1.016 |
186 |
742 |
|
|
2 |
A1 |
396 |
401 |
1.012 |
186 |
743 |
|
|
3 |
A1 |
167 |
176 |
1.053 |
186 |
744 |
|
|
5 |
B2 |
711 |
728 |
1.023 |
186 |
745 |
|
|
6 |
B2 |
282 |
289 |
1.025 |
186 |
746 |
|
|
7 |
E |
891 |
917 |
1.029 |
186 |
747 |
|
|
8 |
E |
475 |
512 |
1.077 |
186 |
748 |
|
|
9 |
E |
92 |
104 |
1.126 |
186 |
749 |
C2Cl4 |
Tetrachloroethylene |
1 |
Ag |
233 |
1571 |
6.733 |
187 |
750 |
|
|
2 |
Ag |
447 |
447 |
1.000 |
187 |
751 |
|
|
3 |
Ag |
1558 |
237 |
0.152 |
187 |
752 |
|
|
4 |
Au |
96 |
110 |
1.146 |
187 |
753 |
|
|
5 |
B1u |
310 |
777 |
2.503 |
187 |
754 |
|
|
6 |
B1u |
767 |
310 |
0.404 |
187 |
755 |
|
|
7 |
B2g |
534 |
512 |
0.958 |
187 |
756 |
|
|
8 |
B2u |
173 |
908 |
5.257 |
187 |
757 |
|
|
9 |
B2u |
880 |
176 |
0.200 |
187 |
758 |
|
|
10 |
B3g |
340 |
1000 |
2.945 |
187 |
759 |
|
|
11 |
B3g |
944 |
347 |
0.367 |
187 |
760 |
|
|
12 |
B3u |
286 |
288 |
1.007 |
187 |
761 |
PCl5 |
Phosphorus pentachloride |
1 |
A1' |
268 |
394 |
1.472 |
188 |
762 |
|
|
2 |
A1' |
372 |
264 |
0.710 |
188 |
763 |
|
|
3 |
A2" |
286 |
465 |
1.626 |
188 |
764 |
|
|
4 |
A2" |
438 |
299 |
0.682 |
188 |
765 |
|
|
5 |
E' |
82 |
592 |
7.252 |
188 |
766 |
|
|
6 |
E' |
260 |
273 |
1.052 |
188 |
767 |
|
|
7 |
E' |
545 |
100 |
0.184 |
188 |
768 |
|
|
8 |
E" |
249 |
282 |
1.131 |
188 |
769 |
CH3CCH |
propyne |
1 |
A1 |
3398 |
3334 |
0.981 |
189 |
770 |
|
|
2 |
A1 |
2962 |
2918 |
0.985 |
189 |
771 |
|
|
3 |
A1 |
2161 |
2124 |
0.983 |
189 |
772 |
|
|
4 |
A1 |
1358 |
1382 |
1.018 |
189 |
773 |
|
|
5 |
A1 |
936 |
931 |
0.995 |
189 |
774 |
|
|
6 |
E |
3025 |
3008 |
0.994 |
189 |
775 |
|
|
7 |
E |
1424 |
1452 |
1.020 |
189 |
776 |
|
|
8 |
E |
1010 |
1053 |
1.042 |
189 |
777 |
|
|
9 |
E |
622 |
633 |
1.018 |
189 |
778 |
|
|
10 |
E |
331 |
328 |
0.992 |
189 |
779 |
CH2CCH2 |
allene |
1 |
A1 |
3057 |
3015 |
0.986 |
190 |
780 |
|
|
2 |
A1 |
1426 |
1443 |
1.012 |
190 |
781 |
|
|
3 |
A1 |
1085 |
1073 |
0.989 |
190 |
782 |
|
|
4 |
B1 |
859 |
865 |
1.007 |
190 |
783 |
|
|
5 |
B2 |
3053 |
3007 |
0.985 |
190 |
784 |
|
|
6 |
B2 |
1998 |
1957 |
0.979 |
190 |
785 |
|
|
7 |
B2 |
1370 |
1398 |
1.021 |
190 |
786 |
|
|
8 |
E |
3127 |
3086 |
0.987 |
190 |
787 |
|
|
9 |
E |
975 |
999 |
1.025 |
190 |
788 |
|
|
10 |
E |
822 |
841 |
1.023 |
190 |
789 |
|
|
11 |
E |
359 |
355 |
0.988 |
190 |
790 |
C3H4 |
cyclopropene |
1 |
A1 |
3218 |
3158 |
0.981 |
191 |
791 |
|
|
2 |
A1 |
2969 |
2909 |
0.980 |
191 |
792 |
|
|
3 |
A1 |
1687 |
1653 |
0.980 |
191 |
793 |
|
|
4 |
A1 |
1472 |
1483 |
1.007 |
191 |
794 |
|
|
5 |
A1 |
1133 |
1110 |
0.979 |
191 |
795 |
|
|
6 |
A1 |
894 |
905 |
1.012 |
191 |
796 |
|
|
7 |
A2 |
988 |
996 |
1.008 |
191 |
797 |
|
|
8 |
A2 |
826 |
820 |
0.993 |
191 |
798 |
|
|
9 |
B1 |
3031 |
2995 |
0.988 |
191 |
799 |
|
|
10 |
B1 |
1078 |
1088 |
1.010 |
191 |
800 |
|
|
11 |
B1 |
576 |
569 |
0.988 |
191 |
801 |
|
|
12 |
B2 |
3174 |
3124 |
0.984 |
191 |
802 |
|
|
13 |
B2 |
1032 |
1043 |
1.010 |
191 |
803 |
|
|
14 |
B2 |
993 |
1011 |
1.018 |
191 |
804 |
|
|
15 |
B2 |
772 |
769 |
0.996 |
191 |
805 |
CH3NH2 |
methyl amine |
1 |
A' |
3425 |
3361 |
0.981 |
192 |
806 |
|
|
2 |
A' |
2992 |
2961 |
0.989 |
192 |
807 |
|
|
3 |
A' |
2895 |
2820 |
0.974 |
192 |
808 |
|
|
4 |
A' |
1609 |
1623 |
1.008 |
192 |
809 |
|
|
5 |
A' |
1447 |
1473 |
1.018 |
192 |
810 |
|
|
6 |
A' |
1407 |
1430 |
1.017 |
192 |
811 |
|
|
7 |
A' |
1132 |
1130 |
0.999 |
192 |
812 |
|
|
8 |
A' |
1040 |
1044 |
1.003 |
192 |
813 |
|
|
9 |
A' |
800 |
780 |
0.975 |
192 |
814 |
|
|
10 |
A" |
3502 |
3427 |
0.979 |
192 |
815 |
|
|
11 |
A" |
3031 |
2985 |
0.985 |
192 |
816 |
|
|
12 |
A" |
1468 |
1485 |
1.012 |
192 |
817 |
|
|
13 |
A" |
1302 |
1335 |
1.025 |
192 |
818 |
|
|
14 |
A" |
945 |
|
|
192 |
819 |
|
|
15 |
A" |
290 |
268 |
0.925 |
192 |
820 |
C3H3N |
acrylonitrile |
1 |
A' |
229 |
3125 |
13.657 |
193 |
821 |
|
|
2 |
A' |
564 |
3078 |
5.462 |
193 |
822 |
|
|
3 |
A' |
868 |
3042 |
3.507 |
193 |
823 |
|
|
4 |
A' |
1076 |
2239 |
2.081 |
193 |
824 |
|
|
5 |
A' |
1275 |
1615 |
1.266 |
193 |
825 |
|
|
6 |
A' |
1398 |
1416 |
1.013 |
193 |
826 |
|
|
7 |
A' |
1623 |
1282 |
0.790 |
193 |
827 |
|
|
8 |
A' |
2244 |
1096 |
0.488 |
193 |
828 |
|
|
9 |
A' |
3084 |
869 |
0.282 |
193 |
829 |
|
|
10 |
A' |
3093 |
570 |
0.184 |
193 |
830 |
|
|
11 |
A' |
3179 |
242 |
0.076 |
193 |
831 |
|
|
12 |
A" |
336 |
972 |
2.896 |
193 |
832 |
|
|
13 |
A" |
690 |
954 |
1.382 |
193 |
833 |
|
|
14 |
A" |
945 |
683 |
0.723 |
193 |
834 |
|
|
15 |
A" |
972 |
362 |
0.372 |
193 |
835 |
C3H2N2 |
Malononitrile |
1 |
A1 |
141 |
2935 |
20.863 |
194 |
836 |
|
|
2 |
A1 |
567 |
2275 |
4.013 |
194 |
837 |
|
|
3 |
A1 |
881 |
1395 |
1.583 |
194 |
838 |
|
|
4 |
A1 |
1387 |
890 |
0.642 |
194 |
839 |
|
|
5 |
A1 |
2291 |
582 |
0.254 |
194 |
840 |
|
|
6 |
A1 |
2969 |
167 |
0.056 |
194 |
841 |
|
|
7 |
A2 |
359 |
1220 |
3.403 |
194 |
842 |
|
|
8 |
A2 |
1195 |
367 |
0.307 |
194 |
843 |
|
|
9 |
B1 |
325 |
2968 |
9.124 |
194 |
844 |
|
|
10 |
B1 |
893 |
933 |
1.045 |
194 |
845 |
|
|
11 |
B1 |
3005 |
337 |
0.112 |
194 |
846 |
|
|
12 |
B2 |
359 |
2275 |
6.335 |
194 |
847 |
|
|
13 |
B2 |
969 |
1318 |
1.361 |
194 |
848 |
|
|
14 |
B2 |
1283 |
982 |
0.765 |
194 |
849 |
|
|
15 |
B2 |
2285 |
366 |
0.160 |
194 |
850 |
CH2N4 |
1H-Tetrazole |
1 |
A' |
931 |
3447 |
3.704 |
195 |
851 |
|
|
2 |
A' |
975 |
3102 |
3.183 |
195 |
852 |
|
|
3 |
A' |
1005 |
1441 |
1.433 |
195 |
853 |
|
|
4 |
A' |
1024 |
1384 |
1.351 |
195 |
854 |
|
|
5 |
A' |
1111 |
1259 |
1.133 |
195 |
855 |
|
|
6 |
A' |
1210 |
1159 |
0.958 |
195 |
856 |
|
|
7 |
A' |
1233 |
1084 |
0.879 |
195 |
857 |
|
|
8 |
A' |
1404 |
1015 |
0.723 |
195 |
858 |
|
|
9 |
A' |
1447 |
1002 |
0.693 |
195 |
859 |
|
|
10 |
A' |
3203 |
969 |
0.302 |
195 |
860 |
|
|
11 |
A' |
3556 |
925 |
0.260 |
195 |
861 |
|
|
12 |
A" |
573 |
906 |
1.580 |
195 |
862 |
|
|
13 |
A" |
673 |
663 |
0.985 |
195 |
863 |
|
|
14 |
A" |
722 |
658 |
0.912 |
195 |
864 |
|
|
15 |
A" |
821 |
578 |
0.704 |
195 |
865 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3078 |
3014 |
0.979 |
196 |
866 |
|
|
2 |
A' |
2957 |
2923 |
0.988 |
196 |
867 |
|
|
3 |
A' |
2770 |
2716 |
0.981 |
196 |
868 |
|
|
4 |
A' |
1757 |
1743 |
0.992 |
196 |
869 |
|
|
5 |
A' |
1407 |
1433 |
1.018 |
196 |
870 |
|
|
6 |
A' |
1371 |
1395 |
1.018 |
196 |
871 |
|
|
7 |
A' |
1318 |
1352 |
1.026 |
196 |
872 |
|
|
8 |
A' |
1092 |
1114 |
1.020 |
196 |
873 |
|
|
9 |
A' |
863 |
867 |
1.005 |
196 |
874 |
|
|
10 |
A' |
492 |
509 |
1.034 |
196 |
875 |
|
|
11 |
A" |
3015 |
2964 |
0.983 |
196 |
876 |
|
|
12 |
A" |
1414 |
1431 |
1.012 |
196 |
877 |
|
|
13 |
A" |
1086 |
1102 |
1.015 |
196 |
878 |
|
|
14 |
A" |
739 |
764 |
1.034 |
196 |
879 |
|
|
15 |
A" |
155 |
150 |
0.970 |
196 |
880 |
C2H4O |
Ethylene oxide |
1 |
A1 |
3014 |
3006 |
0.997 |
197 |
881 |
|
|
2 |
A1 |
1484 |
1467 |
0.989 |
197 |
882 |
|
|
3 |
A1 |
1273 |
1267 |
0.996 |
197 |
883 |
|
|
4 |
A1 |
1104 |
1146 |
1.038 |
197 |
884 |
|
|
5 |
A1 |
882 |
857 |
0.972 |
197 |
885 |
|
|
6 |
A2 |
3087 |
3063 |
0.992 |
197 |
886 |
|
|
7 |
A2 |
1134 |
1050 |
0.926 |
197 |
887 |
|
|
8 |
A2 |
1012 |
1020 |
1.008 |
197 |
888 |
|
|
9 |
B1 |
3102 |
3065 |
0.988 |
197 |
889 |
|
|
10 |
B1 |
1132 |
1146 |
1.012 |
197 |
890 |
|
|
11 |
B1 |
792 |
797 |
1.007 |
197 |
891 |
|
|
12 |
B2 |
3008 |
3006 |
0.999 |
197 |
892 |
|
|
13 |
B2 |
1451 |
1459 |
1.006 |
197 |
893 |
|
|
14 |
B2 |
1115 |
1159 |
1.040 |
197 |
894 |
|
|
15 |
B2 |
833 |
824 |
0.989 |
197 |
895 |
CH3ONO |
Methyl nitrite |
1 |
A' |
326 |
3037 |
9.307 |
198 |
896 |
|
|
2 |
A' |
546 |
2950 |
5.400 |
198 |
897 |
|
|
3 |
A' |
824 |
1613 |
1.958 |
198 |
898 |
|
|
4 |
A' |
961 |
1454 |
1.513 |
198 |
899 |
|
|
5 |
A' |
1134 |
1408 |
1.242 |
198 |
900 |
|
|
6 |
A' |
1381 |
1239 |
0.897 |
198 |
901 |
|
|
7 |
A' |
1433 |
991 |
0.691 |
198 |
902 |
|
|
8 |
A' |
1643 |
838 |
0.510 |
198 |
903 |
|
|
9 |
A' |
2965 |
627 |
0.212 |
198 |
904 |
|
|
10 |
A' |
3091 |
346 |
0.112 |
198 |
905 |
|
|
11 |
A" |
155 |
2991 |
19.344 |
198 |
906 |
|
|
12 |
A" |
371 |
1438 |
3.875 |
198 |
907 |
|
|
13 |
A" |
1111 |
1143 |
1.029 |
198 |
908 |
|
|
14 |
A" |
1419 |
|
|
198 |
909 |
|
|
15 |
A" |
3032 |
186 |
0.061 |
198 |
910 |
C2H4S |
Thiirane |
1 |
A1 |
3047 |
3014 |
0.989 |
199 |
911 |
|
|
2 |
A1 |
1439 |
1457 |
1.012 |
199 |
912 |
|
|
5 |
A1 |
633 |
627 |
0.990 |
199 |
913 |
|
|
11 |
B1 |
809 |
824 |
1.018 |
199 |
914 |
|
|
12 |
B2 |
3047 |
3013 |
0.989 |
199 |
915 |
|
|
14 |
B2 |
1030 |
1051 |
1.020 |
199 |
916 |
H2SO4 |
Sulfuric acid |
1 |
A |
239 |
3563 |
14.910 |
200 |
917 |
|
|
2 |
A |
352 |
1216 |
3.454 |
200 |
918 |
|
|
3 |
A |
418 |
1136 |
2.716 |
200 |
919 |
|
|
4 |
A |
507 |
831 |
1.640 |
200 |
920 |
|
|
5 |
A |
761 |
548 |
0.720 |
200 |
921 |
|
|
6 |
A |
1112 |
422 |
0.379 |
200 |
922 |
|
|
7 |
A |
1177 |
379 |
0.322 |
200 |
923 |
|
|
8 |
A |
3669 |
224 |
0.061 |
200 |
924 |
|
|
9 |
B |
323 |
3567 |
11.032 |
200 |
925 |
|
|
10 |
B |
467 |
1452 |
3.113 |
200 |
926 |
|
|
11 |
B |
520 |
1157 |
2.224 |
200 |
927 |
|
|
12 |
B |
817 |
882 |
1.079 |
200 |
928 |
|
|
13 |
B |
1128 |
558 |
0.495 |
200 |
929 |
|
|
14 |
B |
1425 |
506 |
0.355 |
200 |
930 |
|
|
15 |
B |
3665 |
288 |
0.079 |
200 |
931 |
CH3COF |
Acetyl fluoride |
1 |
A' |
401 |
3043 |
7.584 |
201 |
932 |
|
|
2 |
A' |
577 |
2955 |
5.122 |
201 |
933 |
|
|
3 |
A' |
800 |
1870 |
2.339 |
201 |
934 |
|
|
4 |
A' |
964 |
1440 |
1.493 |
201 |
935 |
|
|
5 |
A' |
1142 |
1378 |
1.206 |
201 |
936 |
|
|
6 |
A' |
1343 |
1188 |
0.885 |
201 |
937 |
|
|
7 |
A' |
1417 |
1000 |
0.706 |
201 |
938 |
|
|
8 |
A' |
1854 |
826 |
0.445 |
201 |
939 |
|
|
9 |
A' |
2990 |
598 |
0.200 |
201 |
940 |
|
|
10 |
A' |
3102 |
420 |
0.135 |
201 |
941 |
|
|
11 |
A" |
122 |
3004 |
24.612 |
201 |
942 |
|
|
12 |
A" |
549 |
1437 |
2.618 |
201 |
943 |
|
|
13 |
A" |
1023 |
1054 |
1.030 |
201 |
944 |
|
|
14 |
A" |
1422 |
567 |
0.399 |
201 |
945 |
|
|
15 |
A" |
3054 |
123 |
0.040 |
201 |
946 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
703 |
774 |
1.100 |
202 |
947 |
|
|
2 |
Eg |
590 |
642 |
1.088 |
202 |
948 |
|
|
3 |
T1u |
566 |
948 |
1.674 |
202 |
949 |
|
|
4 |
T1u |
877 |
616 |
0.702 |
202 |
950 |
|
|
5 |
T2g |
478 |
525 |
1.098 |
202 |
951 |
|
|
6 |
T2u |
319 |
347 |
1.088 |
202 |
952 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
335 |
3027 |
9.025 |
203 |
953 |
|
|
2 |
A' |
419 |
2948 |
7.031 |
203 |
954 |
|
|
3 |
A' |
587 |
1818 |
3.100 |
203 |
955 |
|
|
4 |
A' |
932 |
1415 |
1.519 |
203 |
956 |
|
|
5 |
A' |
1075 |
1368 |
1.272 |
203 |
957 |
|
|
6 |
A' |
1332 |
1108 |
0.832 |
203 |
958 |
|
|
7 |
A' |
1412 |
956 |
0.677 |
203 |
959 |
|
|
8 |
A' |
1835 |
604 |
0.329 |
203 |
960 |
|
|
9 |
A' |
2986 |
445 |
0.149 |
203 |
961 |
|
|
10 |
A' |
3087 |
348 |
0.113 |
203 |
962 |
|
|
11 |
A" |
130 |
2990 |
22.947 |
203 |
963 |
|
|
12 |
A" |
503 |
1431 |
2.846 |
203 |
964 |
|
|
13 |
A" |
1001 |
1032 |
1.031 |
203 |
965 |
|
|
14 |
A" |
1412 |
518 |
0.367 |
203 |
966 |
|
|
15 |
A" |
3058 |
166 |
0.054 |
203 |
967 |
B2H6 |
Diborane |
1 |
Ag |
2558 |
2530 |
0.989 |
204 |
968 |
|
|
2 |
Ag |
2138 |
2088 |
0.977 |
204 |
969 |
|
|
3 |
Ag |
1151 |
1183 |
1.028 |
204 |
970 |
|
|
4 |
Ag |
794 |
790 |
0.995 |
204 |
971 |
|
|
5 |
Au |
827 |
833 |
1.008 |
204 |
972 |
|
|
6 |
B1g |
2633 |
2596 |
0.986 |
204 |
973 |
|
|
7 |
B1g |
905 |
915 |
1.011 |
204 |
974 |
|
|
8 |
B1u |
1990 |
1930 |
0.970 |
204 |
975 |
|
|
9 |
B1u |
951 |
973 |
1.023 |
204 |
976 |
|
|
10 |
B2g |
1840 |
1760 |
0.957 |
204 |
977 |
|
|
11 |
B2g |
875 |
860 |
0.983 |
204 |
978 |
|
|
12 |
B2u |
2648 |
2609 |
0.985 |
204 |
979 |
|
|
13 |
B2u |
865 |
949 |
1.097 |
204 |
980 |
|
|
14 |
B2u |
305 |
369 |
1.210 |
204 |
981 |
|
|
15 |
B3g |
934 |
1020 |
1.092 |
204 |
982 |
|
|
16 |
B3u |
2546 |
2520 |
0.990 |
204 |
983 |
|
|
17 |
B3u |
1666 |
1603 |
0.962 |
204 |
984 |
|
|
18 |
B3u |
1146 |
1172 |
1.023 |
204 |
985 |
C3H5 |
Allyl radical |
1 |
A1 |
3171 |
3114 |
0.982 |
205 |
986 |
|
|
2 |
A1 |
3075 |
3048 |
0.991 |
205 |
987 |
|
|
4 |
A1 |
1468 |
1488 |
1.014 |
205 |
988 |
|
|
5 |
A1 |
1238 |
1245 |
1.005 |
205 |
989 |
|
|
6 |
A1 |
1012 |
1066 |
1.053 |
205 |
990 |
|
|
7 |
A1 |
412 |
427 |
1.037 |
205 |
991 |
|
|
9 |
A2 |
533 |
549 |
1.031 |
205 |
992 |
|
|
10 |
B1 |
981 |
968 |
0.987 |
205 |
993 |
|
|
11 |
B1 |
796 |
802 |
1.007 |
205 |
994 |
|
|
12 |
B1 |
512 |
518 |
1.012 |
205 |
995 |
|
|
13 |
B2 |
3168 |
3105 |
0.980 |
205 |
996 |
|
|
14 |
B2 |
3070 |
3016 |
0.983 |
205 |
997 |
|
|
15 |
B2 |
1477 |
1463 |
0.990 |
205 |
998 |
|
|
16 |
B2 |
1378 |
1389 |
1.008 |
205 |
999 |
|
|
17 |
B2 |
1200 |
1182 |
0.985 |
205 |
1000 |
Si2H6 |
disilane |
1 |
A1g |
2150 |
2152 |
1.001 |
206 |
1001 |
|
|
2 |
A1g |
873 |
909 |
1.041 |
206 |
1002 |
|
|
3 |
A1g |
416 |
434 |
1.044 |
206 |
1003 |
|
|
4 |
A1u |
142 |
131 |
0.921 |
206 |
1004 |
|
|
5 |
A2u |
2144 |
2154 |
1.005 |
206 |
1005 |
|
|
6 |
A2u |
803 |
844 |
1.050 |
206 |
1006 |
|
|
7 |
Eg |
2157 |
2155 |
0.999 |
206 |
1007 |
|
|
8 |
Eg |
901 |
929 |
1.032 |
206 |
1008 |
|
|
9 |
Eg |
605 |
625 |
1.034 |
206 |
1009 |
|
|
10 |
Eu |
2167 |
2179 |
1.005 |
206 |
1010 |
|
|
11 |
Eu |
914 |
940 |
1.028 |
206 |
1011 |
|
|
12 |
Eu |
356 |
379 |
1.066 |
206 |
1012 |
C2H5N |
Aziridine |
1 |
A' |
752 |
3338 |
4.441 |
207 |
1013 |
|
|
2 |
A' |
857 |
3079 |
3.591 |
207 |
1014 |
|
|
3 |
A' |
974 |
3015 |
3.095 |
207 |
1015 |
|
|
4 |
A' |
1074 |
1482 |
1.380 |
207 |
1016 |
|
|
5 |
A' |
1206 |
1237 |
1.026 |
207 |
1017 |
|
|
6 |
A' |
1264 |
1211 |
0.958 |
207 |
1018 |
|
|
7 |
A' |
1470 |
1090 |
0.741 |
207 |
1019 |
|
|
8 |
A' |
3037 |
998 |
0.329 |
207 |
1020 |
|
|
9 |
A' |
3123 |
856 |
0.274 |
207 |
1021 |
|
|
10 |
A' |
3417 |
773 |
0.226 |
207 |
1022 |
|
|
11 |
A" |
845 |
3079 |
3.644 |
207 |
1023 |
|
|
12 |
A" |
889 |
3015 |
3.391 |
207 |
1024 |
|
|
13 |
A" |
1072 |
1463 |
1.365 |
207 |
1025 |
|
|
14 |
A" |
1114 |
1268 |
1.139 |
207 |
1026 |
|
|
15 |
A" |
1226 |
1131 |
0.923 |
207 |
1027 |
|
|
16 |
A" |
1443 |
1095 |
0.759 |
207 |
1028 |
|
|
17 |
A" |
3033 |
904 |
0.298 |
207 |
1029 |
|
|
18 |
A" |
3110 |
817 |
0.263 |
207 |
1030 |
CH3COOH |
Acetic acid |
1 |
A' |
410 |
3583 |
8.733 |
208 |
1031 |
|
|
2 |
A' |
565 |
3051 |
5.400 |
208 |
1032 |
|
|
3 |
A' |
840 |
2944 |
3.505 |
208 |
1033 |
|
|
4 |
A' |
956 |
1788 |
1.870 |
208 |
1034 |
|
|
5 |
A' |
1159 |
1430 |
1.234 |
208 |
1035 |
|
|
6 |
A' |
1291 |
1382 |
1.071 |
208 |
1036 |
|
|
7 |
A' |
1351 |
1264 |
0.935 |
208 |
1037 |
|
|
8 |
A' |
1421 |
1182 |
0.832 |
208 |
1038 |
|
|
9 |
A' |
1764 |
989 |
0.561 |
208 |
1039 |
|
|
10 |
A' |
2988 |
847 |
0.283 |
208 |
1040 |
|
|
11 |
A' |
3103 |
657 |
0.212 |
208 |
1041 |
|
|
12 |
A' |
3640 |
|
|
208 |
1042 |
|
|
13 |
A" |
62 |
2996 |
48.277 |
208 |
1043 |
|
|
14 |
A" |
530 |
1430 |
2.697 |
208 |
1044 |
|
|
15 |
A" |
657 |
1048 |
1.595 |
208 |
1045 |
|
|
16 |
A" |
1021 |
642 |
0.629 |
208 |
1046 |
|
|
17 |
A" |
1424 |
534 |
0.375 |
208 |
1047 |
|
|
18 |
A" |
3051 |
93 |
0.030 |
208 |
1048 |
CH3OCHO |
methyl formate |
1 |
A' |
290 |
3045 |
10.509 |
209 |
1049 |
|
|
2 |
A' |
751 |
2969 |
3.954 |
209 |
1050 |
|
|
3 |
A' |
908 |
2943 |
3.242 |
209 |
1051 |
|
|
4 |
A' |
1132 |
1754 |
1.550 |
209 |
1052 |
|
|
5 |
A' |
1179 |
1454 |
1.233 |
209 |
1053 |
|
|
6 |
A' |
1342 |
1445 |
1.077 |
209 |
1054 |
|
|
7 |
A' |
1411 |
1371 |
0.972 |
209 |
1055 |
|
|
8 |
A' |
1445 |
1207 |
0.835 |
209 |
1056 |
|
|
9 |
A' |
1743 |
1166 |
0.669 |
209 |
1057 |
|
|
10 |
A' |
2950 |
925 |
0.314 |
209 |
1058 |
|
|
11 |
A' |
2985 |
767 |
0.257 |
209 |
1059 |
|
|
12 |
A' |
3097 |
318 |
0.103 |
209 |
1060 |
|
|
13 |
A" |
113 |
3012 |
26.633 |
209 |
1061 |
|
|
14 |
A" |
348 |
1443 |
4.149 |
209 |
1062 |
|
|
15 |
A" |
987 |
1168 |
1.184 |
209 |
1063 |
|
|
16 |
A" |
1131 |
1032 |
0.912 |
209 |
1064 |
|
|
17 |
A" |
1432 |
332 |
0.232 |
209 |
1065 |
|
|
18 |
A" |
3058 |
130 |
0.043 |
209 |
1066 |
C3H3NO |
Isoxazole |
1 |
A' |
3209 |
3160 |
0.985 |
210 |
1067 |
|
|
2 |
A' |
3183 |
3128 |
0.983 |
210 |
1068 |
|
|
3 |
A' |
3161 |
3086 |
0.976 |
210 |
1069 |
|
|
4 |
A' |
1544 |
1561 |
1.011 |
210 |
1070 |
|
|
5 |
A' |
1421 |
1433 |
1.008 |
210 |
1071 |
|
|
6 |
A' |
1356 |
1371 |
1.011 |
210 |
1072 |
|
|
7 |
A' |
1204 |
1218 |
1.012 |
210 |
1073 |
|
|
8 |
A' |
1113 |
1130 |
1.015 |
210 |
1074 |
|
|
9 |
A' |
1094 |
1096 |
1.002 |
210 |
1075 |
|
|
10 |
A' |
1017 |
1024 |
1.007 |
210 |
1076 |
|
|
11 |
A' |
902 |
920 |
1.019 |
210 |
1077 |
|
|
12 |
A' |
890 |
900 |
1.011 |
210 |
1078 |
|
|
13 |
A' |
841 |
857 |
1.019 |
210 |
1079 |
|
|
14 |
A" |
875 |
890 |
1.016 |
210 |
1080 |
|
|
15 |
A" |
833 |
866 |
1.040 |
210 |
1081 |
|
|
16 |
A" |
751 |
765 |
1.019 |
210 |
1082 |
|
|
17 |
A" |
632 |
631 |
0.998 |
210 |
1083 |
|
|
18 |
A" |
596 |
592 |
0.993 |
210 |
1084 |
C3H3NO |
Oxazole |
1 |
A' |
884 |
3170 |
3.585 |
211 |
1085 |
|
|
2 |
A' |
896 |
3144 |
3.510 |
211 |
1086 |
|
|
3 |
A' |
1046 |
3141 |
3.002 |
211 |
1087 |
|
|
4 |
A' |
1058 |
1537 |
1.453 |
211 |
1088 |
|
|
5 |
A' |
1106 |
1504 |
1.360 |
211 |
1089 |
|
|
6 |
A' |
1126 |
1324 |
1.176 |
211 |
1090 |
|
|
7 |
A' |
1231 |
1252 |
1.017 |
211 |
1091 |
|
|
8 |
A' |
1317 |
1139 |
0.865 |
211 |
1092 |
|
|
9 |
A' |
1481 |
1086 |
0.733 |
211 |
1093 |
|
|
10 |
A' |
1522 |
1078 |
0.708 |
211 |
1094 |
|
|
11 |
A' |
3183 |
1046 |
0.329 |
211 |
1095 |
|
|
12 |
A' |
3197 |
899 |
0.281 |
211 |
1096 |
|
|
13 |
A' |
3220 |
854 |
0.265 |
211 |
1097 |
|
|
14 |
A" |
611 |
907 |
1.484 |
211 |
1098 |
|
|
15 |
A" |
648 |
830 |
1.281 |
211 |
1099 |
|
|
16 |
A" |
728 |
750 |
1.030 |
211 |
1100 |
|
|
17 |
A" |
795 |
647 |
0.814 |
211 |
1101 |
|
|
18 |
A" |
842 |
607 |
0.721 |
211 |
1102 |
CH3NO3 |
Methyl nitrate |
1 |
A' |
323 |
3008 |
9.304 |
212 |
1103 |
|
|
2 |
A' |
526 |
2941 |
5.595 |
212 |
1104 |
|
|
3 |
A' |
624 |
1678 |
2.687 |
212 |
1105 |
|
|
4 |
A' |
808 |
1468 |
1.816 |
212 |
1106 |
|
|
5 |
A' |
988 |
1430 |
1.447 |
212 |
1107 |
|
|
6 |
A' |
1145 |
1287 |
1.124 |
212 |
1108 |
|
|
7 |
A' |
1284 |
1176 |
0.916 |
212 |
1109 |
|
|
8 |
A' |
1404 |
1017 |
0.724 |
212 |
1110 |
|
|
9 |
A' |
1447 |
854 |
0.590 |
212 |
1111 |
|
|
10 |
A' |
1690 |
657 |
0.389 |
212 |
1112 |
|
|
11 |
A' |
2974 |
578 |
0.194 |
212 |
1113 |
|
|
12 |
A' |
3077 |
340 |
0.111 |
212 |
1114 |
|
|
13 |
A" |
145 |
3008 |
20.678 |
212 |
1115 |
|
|
14 |
A" |
193 |
1455 |
7.557 |
212 |
1116 |
|
|
15 |
A" |
740 |
1136 |
1.534 |
212 |
1117 |
|
|
16 |
A" |
1129 |
758 |
0.672 |
212 |
1118 |
|
|
17 |
A" |
1419 |
|
|
212 |
1119 |
|
|
18 |
A" |
3054 |
|
|
212 |
1120 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
1 |
A' |
3073 |
3015 |
0.981 |
213 |
1121 |
|
|
2 |
A' |
2987 |
2975 |
0.996 |
213 |
1122 |
|
|
3 |
A' |
2975 |
2964 |
0.996 |
213 |
1123 |
|
|
4 |
A' |
1432 |
1457 |
1.017 |
213 |
1124 |
|
|
5 |
A' |
1371 |
1413 |
1.031 |
213 |
1125 |
|
|
6 |
A' |
1332 |
1357 |
1.019 |
213 |
1126 |
|
|
7 |
A' |
1116 |
1171 |
1.049 |
213 |
1127 |
|
|
8 |
A' |
1097 |
1140 |
1.039 |
213 |
1128 |
|
|
9 |
A' |
844 |
868 |
1.028 |
213 |
1129 |
|
|
10 |
A' |
546 |
569 |
1.042 |
213 |
1130 |
|
|
11 |
A' |
447 |
468 |
1.047 |
213 |
1131 |
|
|
12 |
A" |
3069 |
|
|
213 |
1132 |
|
|
13 |
A" |
1433 |
|
|
213 |
1133 |
|
|
14 |
A" |
1322 |
1362 |
1.030 |
213 |
1134 |
|
|
15 |
A" |
1086 |
1135 |
1.046 |
213 |
1135 |
|
|
16 |
A" |
895 |
942 |
1.052 |
213 |
1136 |
|
|
17 |
A" |
369 |
|
|
213 |
1137 |
|
|
18 |
A" |
220 |
|
|
213 |
1138 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
1 |
A1 |
578 |
2974 |
5.145 |
214 |
1139 |
|
|
2 |
A1 |
803 |
1412 |
1.759 |
214 |
1140 |
|
|
3 |
A1 |
1232 |
1278 |
1.037 |
214 |
1141 |
|
|
4 |
A1 |
1371 |
828 |
0.604 |
214 |
1142 |
|
|
5 |
A1 |
3003 |
606 |
0.202 |
214 |
1143 |
|
|
6 |
A2 |
218 |
225 |
1.033 |
214 |
1144 |
|
|
7 |
E |
349 |
3042 |
8.728 |
214 |
1145 |
|
|
8 |
E |
515 |
1450 |
2.813 |
214 |
1146 |
|
|
9 |
E |
920 |
1230 |
1.337 |
214 |
1147 |
|
|
10 |
E |
1159 |
964 |
0.832 |
214 |
1148 |
|
|
11 |
E |
1433 |
540 |
0.377 |
214 |
1149 |
|
|
12 |
E |
3090 |
365 |
0.118 |
214 |
1150 |
CH3CH2Cl |
Ethyl chloride |
1 |
A' |
323 |
2967 |
9.191 |
215 |
1151 |
|
|
2 |
A' |
652 |
2946 |
4.520 |
215 |
1152 |
|
|
3 |
A' |
955 |
2881 |
3.016 |
215 |
1153 |
|
|
4 |
A' |
1058 |
1463 |
1.382 |
215 |
1154 |
|
|
5 |
A' |
1263 |
1448 |
1.146 |
215 |
1155 |
|
|
6 |
A' |
1359 |
1385 |
1.019 |
215 |
1156 |
|
|
7 |
A' |
1438 |
1289 |
0.896 |
215 |
1157 |
|
|
8 |
A' |
1450 |
1081 |
0.746 |
215 |
1158 |
|
|
9 |
A' |
2968 |
974 |
0.328 |
215 |
1159 |
|
|
10 |
A' |
3006 |
677 |
0.225 |
215 |
1160 |
|
|
11 |
A' |
3038 |
336 |
0.111 |
215 |
1161 |
|
|
12 |
A" |
251 |
3014 |
12.013 |
215 |
1162 |
|
|
13 |
A" |
763 |
2986 |
3.912 |
215 |
1163 |
|
|
14 |
A" |
1038 |
1448 |
1.396 |
215 |
1164 |
|
|
15 |
A" |
1231 |
1251 |
1.016 |
215 |
1165 |
|
|
16 |
A" |
1432 |
974 |
0.680 |
215 |
1166 |
|
|
17 |
A" |
3045 |
786 |
0.258 |
215 |
1167 |
|
|
18 |
A" |
3071 |
251 |
0.082 |
215 |
1168 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1 |
Ag |
291 |
2957 |
10.156 |
216 |
1169 |
|
|
2 |
Ag |
735 |
1445 |
1.966 |
216 |
1170 |
|
|
3 |
Ag |
1044 |
1304 |
1.249 |
216 |
1171 |
|
|
4 |
Ag |
1274 |
1052 |
0.826 |
216 |
1172 |
|
|
5 |
Ag |
1437 |
754 |
0.525 |
216 |
1173 |
|
|
6 |
Ag |
3017 |
300 |
0.099 |
216 |
1174 |
|
|
7 |
Au |
115 |
3005 |
26.034 |
216 |
1175 |
|
|
8 |
Au |
753 |
1123 |
1.491 |
216 |
1176 |
|
|
9 |
Au |
1096 |
773 |
0.705 |
216 |
1177 |
|
|
10 |
Au |
3095 |
123 |
0.040 |
216 |
1178 |
|
|
11 |
Bg |
971 |
3005 |
3.094 |
216 |
1179 |
|
|
12 |
Bg |
1249 |
1264 |
1.012 |
216 |
1180 |
|
|
13 |
Bg |
3070 |
989 |
0.322 |
216 |
1181 |
|
|
14 |
Bu |
206 |
2983 |
14.452 |
216 |
1182 |
|
|
15 |
Bu |
701 |
1461 |
2.085 |
216 |
1183 |
|
|
16 |
Bu |
1203 |
1232 |
1.024 |
216 |
1184 |
|
|
17 |
Bu |
1439 |
728 |
0.506 |
216 |
1185 |
|
|
18 |
Bu |
3025 |
222 |
0.073 |
216 |
1186 |
CH2CHCH3 |
Propene |
1 |
A' |
3144 |
3090 |
0.983 |
217 |
1187 |
|
|
2 |
A' |
3060 |
3013 |
0.985 |
217 |
1188 |
|
|
3 |
A' |
3053 |
2991 |
0.980 |
217 |
1189 |
|
|
4 |
A' |
3032 |
2954 |
0.974 |
217 |
1190 |
|
|
5 |
A' |
2951 |
2871 |
0.973 |
217 |
1191 |
|
|
6 |
A' |
1659 |
1650 |
0.995 |
217 |
1192 |
|
|
7 |
A' |
1441 |
1470 |
1.020 |
217 |
1193 |
|
|
8 |
A' |
1397 |
1420 |
1.016 |
217 |
1194 |
|
|
9 |
A' |
1352 |
1378 |
1.019 |
217 |
1195 |
|
|
10 |
A' |
1283 |
1297 |
1.011 |
217 |
1196 |
|
|
11 |
A' |
1153 |
1171 |
1.015 |
217 |
1197 |
|
|
12 |
A' |
913 |
963 |
1.055 |
217 |
1198 |
|
|
13 |
A' |
910 |
920 |
1.011 |
217 |
1199 |
|
|
14 |
A' |
412 |
428 |
1.039 |
217 |
1200 |
|
|
15 |
A" |
3000 |
2954 |
0.985 |
217 |
1201 |
|
|
16 |
A" |
1426 |
1443 |
1.012 |
217 |
1202 |
|
|
17 |
A" |
1027 |
1045 |
1.017 |
217 |
1203 |
|
|
18 |
A" |
992 |
991 |
0.999 |
217 |
1204 |
|
|
19 |
A" |
902 |
912 |
1.012 |
217 |
1205 |
|
|
20 |
A" |
572 |
578 |
1.010 |
217 |
1206 |
|
|
21 |
A" |
203 |
174 |
0.856 |
217 |
1207 |
C3H4N2 |
1H-Pyrazole |
1 |
A' |
892 |
3523 |
3.950 |
218 |
1208 |
|
|
2 |
A' |
912 |
3155 |
3.460 |
218 |
1209 |
|
|
3 |
A' |
1021 |
3137 |
3.072 |
218 |
1210 |
|
|
4 |
A' |
1029 |
3126 |
3.038 |
218 |
1211 |
|
|
5 |
A' |
1119 |
1531 |
1.368 |
218 |
1212 |
|
|
6 |
A' |
1153 |
1447 |
1.255 |
218 |
1213 |
|
|
7 |
A' |
1243 |
1395 |
1.122 |
218 |
1214 |
|
|
8 |
A' |
1336 |
1358 |
1.016 |
218 |
1215 |
|
|
9 |
A' |
1389 |
1254 |
0.903 |
218 |
1216 |
|
|
10 |
A' |
1436 |
1159 |
0.807 |
218 |
1217 |
|
|
11 |
A' |
1514 |
1121 |
0.741 |
218 |
1218 |
|
|
12 |
A' |
3167 |
1054 |
0.333 |
218 |
1219 |
|
|
13 |
A' |
3181 |
1009 |
0.317 |
218 |
1220 |
|
|
14 |
A' |
3200 |
924 |
0.289 |
218 |
1221 |
|
|
15 |
A' |
3581 |
908 |
0.254 |
218 |
1222 |
|
|
16 |
A" |
519 |
879 |
1.693 |
218 |
1223 |
|
|
17 |
A" |
622 |
833 |
1.340 |
218 |
1224 |
|
|
18 |
A" |
674 |
745 |
1.106 |
218 |
1225 |
|
|
19 |
A" |
724 |
674 |
0.931 |
218 |
1226 |
|
|
20 |
A" |
808 |
623 |
0.771 |
218 |
1227 |
|
|
21 |
A" |
861 |
516 |
0.599 |
218 |
1228 |
C3H4N2 |
1H-Imidazole |
1 |
A' |
873 |
3517 |
4.031 |
219 |
1229 |
|
|
2 |
A' |
915 |
3143 |
3.434 |
219 |
1230 |
|
|
3 |
A' |
1049 |
3123 |
2.978 |
219 |
1231 |
|
|
4 |
A' |
1069 |
3110 |
2.910 |
219 |
1232 |
|
|
5 |
A' |
1114 |
1448 |
1.300 |
219 |
1233 |
|
|
6 |
A' |
1147 |
1404 |
1.224 |
219 |
1234 |
|
|
7 |
A' |
1241 |
1328 |
1.070 |
219 |
1235 |
|
|
8 |
A' |
1330 |
1265 |
0.951 |
219 |
1236 |
|
|
9 |
A' |
1389 |
1188 |
0.855 |
219 |
1237 |
|
|
10 |
A' |
1457 |
1098 |
0.753 |
219 |
1238 |
|
|
11 |
A' |
1506 |
1062 |
0.705 |
219 |
1239 |
|
|
12 |
A' |
3170 |
1013 |
0.320 |
219 |
1240 |
|
|
13 |
A' |
3174 |
988 |
0.311 |
219 |
1241 |
|
|
14 |
A' |
3200 |
923 |
0.288 |
219 |
1242 |
|
|
15 |
A' |
3567 |
898 |
0.252 |
219 |
1243 |
|
|
16 |
A" |
524 |
831 |
1.587 |
219 |
1244 |
|
|
17 |
A" |
630 |
758 |
1.204 |
219 |
1245 |
|
|
18 |
A" |
664 |
674 |
1.016 |
219 |
1246 |
|
|
19 |
A" |
702 |
663 |
0.944 |
219 |
1247 |
|
|
20 |
A" |
774 |
621 |
0.802 |
219 |
1248 |
|
|
21 |
A" |
836 |
539 |
0.645 |
219 |
1249 |
CH3CH2OH |
Ethanol |
1 |
A' |
3742 |
3653 |
0.976 |
220 |
1250 |
|
|
2 |
A' |
3046 |
2984 |
0.980 |
220 |
1251 |
|
|
3 |
A' |
2971 |
2939 |
0.989 |
220 |
1252 |
|
|
4 |
A' |
2901 |
2900 |
1.000 |
220 |
1253 |
|
|
5 |
A' |
1472 |
1490 |
1.013 |
220 |
1254 |
|
|
6 |
A' |
1449 |
1464 |
1.010 |
220 |
1255 |
|
|
7 |
A' |
1394 |
1412 |
1.012 |
220 |
1256 |
|
|
8 |
A' |
1348 |
1371 |
1.018 |
220 |
1257 |
|
|
9 |
A' |
1228 |
1256 |
1.023 |
220 |
1258 |
|
|
10 |
A' |
1069 |
1091 |
1.020 |
220 |
1259 |
|
|
11 |
A' |
1005 |
1028 |
1.023 |
220 |
1260 |
|
|
12 |
A' |
873 |
888 |
1.016 |
220 |
1261 |
|
|
13 |
A' |
404 |
417 |
1.030 |
220 |
1262 |
|
|
14 |
A" |
3046 |
2991 |
0.982 |
220 |
1263 |
|
|
15 |
A" |
2926 |
2910 |
0.994 |
220 |
1264 |
|
|
16 |
A" |
1431 |
1446 |
1.011 |
220 |
1265 |
|
|
17 |
A" |
1251 |
1275 |
1.019 |
220 |
1266 |
|
|
18 |
A" |
1135 |
1161 |
1.022 |
220 |
1267 |
|
|
19 |
A" |
791 |
812 |
1.026 |
220 |
1268 |
|
|
20 |
A" |
270 |
251 |
0.928 |
220 |
1269 |
|
|
21 |
A" |
226 |
200 |
0.883 |
220 |
1270 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3047 |
2996 |
0.983 |
221 |
1271 |
|
|
2 |
A1 |
2897 |
2817 |
0.972 |
221 |
1272 |
|
|
3 |
A1 |
1461 |
1464 |
1.002 |
221 |
1273 |
|
|
4 |
A1 |
1432 |
1452 |
1.014 |
221 |
1274 |
|
|
5 |
A1 |
1223 |
1244 |
1.017 |
221 |
1275 |
|
|
6 |
A1 |
921 |
928 |
1.007 |
221 |
1276 |
|
|
7 |
A1 |
400 |
418 |
1.045 |
221 |
1277 |
|
|
8 |
A2 |
2937 |
2952 |
1.005 |
221 |
1278 |
|
|
9 |
A2 |
1428 |
1464 |
1.025 |
221 |
1279 |
|
|
10 |
A2 |
1123 |
1150 |
1.024 |
221 |
1280 |
|
|
11 |
A2 |
212 |
203 |
0.959 |
221 |
1281 |
|
|
12 |
B1 |
2929 |
2925 |
0.999 |
221 |
1282 |
|
|
13 |
B1 |
1436 |
1464 |
1.019 |
221 |
1283 |
|
|
14 |
B1 |
1150 |
1179 |
1.025 |
221 |
1284 |
|
|
15 |
B1 |
239 |
242 |
1.012 |
221 |
1285 |
|
|
16 |
B2 |
3046 |
2996 |
0.984 |
221 |
1286 |
|
|
17 |
B2 |
2885 |
2817 |
0.976 |
221 |
1287 |
|
|
18 |
B2 |
1444 |
1464 |
1.014 |
221 |
1288 |
|
|
19 |
B2 |
1406 |
1452 |
1.033 |
221 |
1289 |
|
|
20 |
B2 |
1153 |
1227 |
1.064 |
221 |
1290 |
|
|
21 |
B2 |
1089 |
1102 |
1.012 |
221 |
1291 |
C4H4O |
Furan |
1 |
A1 |
3210 |
3161 |
0.985 |
222 |
1292 |
|
|
2 |
A1 |
3183 |
3140 |
0.987 |
222 |
1293 |
|
|
3 |
A1 |
1467 |
1491 |
1.016 |
222 |
1294 |
|
|
4 |
A1 |
1377 |
1384 |
1.005 |
222 |
1295 |
|
|
5 |
A1 |
1135 |
1140 |
1.005 |
222 |
1296 |
|
|
6 |
A1 |
1070 |
1066 |
0.996 |
222 |
1297 |
|
|
7 |
A1 |
989 |
995 |
1.006 |
222 |
1298 |
|
|
8 |
A1 |
859 |
871 |
1.014 |
222 |
1299 |
|
|
9 |
A2 |
851 |
838 |
0.985 |
222 |
1300 |
|
|
10 |
A2 |
696 |
728 |
1.046 |
222 |
1301 |
|
|
11 |
A2 |
597 |
603 |
1.010 |
222 |
1302 |
|
|
12 |
B1 |
813 |
863 |
1.062 |
222 |
1303 |
|
|
13 |
B1 |
727 |
745 |
1.025 |
222 |
1304 |
|
|
14 |
B1 |
609 |
613 |
1.006 |
222 |
1305 |
|
|
15 |
B2 |
3203 |
3154 |
0.985 |
222 |
1306 |
|
|
16 |
B2 |
3172 |
3129 |
0.986 |
222 |
1307 |
|
|
17 |
B2 |
1543 |
1556 |
1.009 |
222 |
1308 |
|
|
18 |
B2 |
1244 |
1267 |
1.019 |
222 |
1309 |
|
|
19 |
B2 |
1168 |
1180 |
1.010 |
222 |
1310 |
|
|
20 |
B2 |
1028 |
1040 |
1.011 |
222 |
1311 |
|
|
21 |
B2 |
861 |
873 |
1.014 |
222 |
1312 |
C3H4O2 |
β–Propiolactone |
1 |
A' |
476 |
3001 |
6.300 |
223 |
1313 |
|
|
2 |
A' |
726 |
2935 |
4.042 |
223 |
1314 |
|
|
3 |
A' |
868 |
1882 |
2.168 |
223 |
1315 |
|
|
4 |
A' |
899 |
1475 |
1.641 |
223 |
1316 |
|
|
5 |
A' |
998 |
1427 |
1.431 |
223 |
1317 |
|
|
6 |
A' |
1065 |
1319 |
1.238 |
223 |
1318 |
|
|
7 |
A' |
1173 |
1199 |
1.022 |
223 |
1319 |
|
|
8 |
A' |
1289 |
1093 |
0.848 |
223 |
1320 |
|
|
9 |
A' |
1402 |
1005 |
0.717 |
223 |
1321 |
|
|
10 |
A' |
1467 |
924 |
0.630 |
223 |
1322 |
|
|
11 |
A' |
1858 |
891 |
0.480 |
223 |
1323 |
|
|
12 |
A' |
3006 |
746 |
0.248 |
223 |
1324 |
|
|
13 |
A' |
3021 |
513 |
0.170 |
223 |
1325 |
|
|
14 |
A" |
183 |
3028 |
16.521 |
223 |
1326 |
|
|
15 |
A" |
498 |
3000 |
6.019 |
223 |
1327 |
|
|
16 |
A" |
774 |
1184 |
1.530 |
223 |
1328 |
|
|
17 |
A" |
1020 |
1139 |
1.116 |
223 |
1329 |
|
|
18 |
A" |
1118 |
1046 |
0.936 |
223 |
1330 |
|
|
19 |
A" |
1161 |
790 |
0.680 |
223 |
1331 |
|
|
20 |
A" |
3061 |
490 |
0.160 |
223 |
1332 |
|
|
21 |
A" |
3080 |
113 |
0.037 |
223 |
1333 |
CH3CH2SH |
ethanethiol |
1 |
A' |
3039 |
2966 |
0.976 |
224 |
1334 |
|
|
1 |
A |
3051 |
2980 |
0.977 |
224 |
1335 |
|
|
2 |
A |
3028 |
2967 |
0.980 |
224 |
1336 |
|
|
2 |
A' |
2985 |
2872 |
0.962 |
224 |
1337 |
|
|
3 |
A' |
2969 |
2872 |
0.967 |
224 |
1338 |
|
|
3 |
A |
3019 |
2930 |
0.970 |
224 |
1339 |
|
|
4 |
A |
2984 |
2902 |
0.973 |
224 |
1340 |
|
|
4 |
A' |
2616 |
2580 |
0.986 |
224 |
1341 |
|
|
5 |
A' |
1452 |
1453 |
1.000 |
224 |
1342 |
|
|
5 |
A |
2959 |
2875 |
0.972 |
224 |
1343 |
|
|
6 |
A |
2608 |
2591 |
0.994 |
224 |
1344 |
|
|
6 |
A' |
1436 |
1453 |
1.012 |
224 |
1345 |
|
|
7 |
A' |
1361 |
1385 |
1.018 |
224 |
1346 |
|
|
7 |
A |
1447 |
1462 |
1.011 |
224 |
1347 |
|
|
8 |
A |
1438 |
1452 |
1.010 |
224 |
1348 |
|
|
8 |
A' |
1243 |
1309 |
1.053 |
224 |
1349 |
|
|
9 |
A' |
1078 |
1097 |
1.017 |
224 |
1350 |
|
|
9 |
A |
1424 |
1437 |
1.009 |
224 |
1351 |
|
|
10 |
A |
1358 |
1377 |
1.014 |
224 |
1352 |
|
|
10 |
A' |
971 |
978 |
1.008 |
224 |
1353 |
|
|
11 |
A' |
829 |
870 |
1.050 |
224 |
1354 |
|
|
11 |
A |
1253 |
1269 |
1.013 |
224 |
1355 |
|
|
12 |
A |
1235 |
1246 |
1.009 |
224 |
1356 |
|
|
12 |
A' |
656 |
660 |
1.005 |
224 |
1357 |
|
|
13 |
A' |
290 |
332 |
1.144 |
224 |
1358 |
|
|
13 |
A |
1083 |
1093 |
1.009 |
224 |
1359 |
|
|
14 |
A |
1033 |
1051 |
1.017 |
224 |
1360 |
|
|
14 |
A" |
3050 |
2966 |
0.973 |
224 |
1361 |
|
|
15 |
A" |
3024 |
2930 |
0.969 |
224 |
1362 |
|
|
15 |
A |
959 |
970 |
1.012 |
224 |
1363 |
|
|
16 |
A |
845 |
867 |
1.026 |
224 |
1364 |
|
|
16 |
A" |
1442 |
1453 |
1.008 |
224 |
1365 |
|
|
17 |
A" |
1224 |
1269 |
1.037 |
224 |
1366 |
|
|
17 |
A |
713 |
735 |
1.031 |
224 |
1367 |
|
|
18 |
A |
639 |
658 |
1.030 |
224 |
1368 |
|
|
18 |
A" |
1006 |
1049 |
1.043 |
224 |
1369 |
|
|
19 |
A" |
764 |
745 |
0.975 |
224 |
1370 |
|
|
19 |
A |
318 |
319 |
1.003 |
224 |
1371 |
|
|
20 |
A |
246 |
|
|
224 |
1372 |
|
|
21 |
A |
205 |
|
|
224 |
1373 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3063 |
2997 |
0.979 |
225 |
1374 |
|
|
2 |
A1 |
2958 |
2925 |
0.989 |
225 |
1375 |
|
|
3 |
A1 |
1434 |
1447 |
1.009 |
225 |
1376 |
|
|
4 |
A1 |
1310 |
1337 |
1.020 |
225 |
1377 |
|
|
5 |
A1 |
1013 |
1030 |
1.017 |
225 |
1378 |
|
|
6 |
A1 |
681 |
695 |
1.021 |
225 |
1379 |
|
|
7 |
A1 |
254 |
280 |
1.100 |
225 |
1380 |
|
|
8 |
A2 |
3037 |
2970 |
0.978 |
225 |
1381 |
|
|
9 |
A2 |
1410 |
1427 |
1.012 |
225 |
1382 |
|
|
10 |
A2 |
917 |
946 |
1.032 |
225 |
1383 |
|
|
11 |
A2 |
183 |
175 |
0.955 |
225 |
1384 |
|
|
12 |
B1 |
3028 |
2970 |
0.981 |
225 |
1385 |
|
|
13 |
B1 |
1419 |
1439 |
1.014 |
225 |
1386 |
|
|
14 |
B1 |
953 |
973 |
1.021 |
225 |
1387 |
|
|
15 |
B1 |
178 |
183 |
1.026 |
225 |
1388 |
|
|
16 |
B2 |
3064 |
2999 |
0.979 |
225 |
1389 |
|
|
17 |
B2 |
2962 |
2919 |
0.986 |
225 |
1390 |
|
|
18 |
B2 |
1426 |
1442 |
1.011 |
225 |
1391 |
|
|
19 |
B2 |
1286 |
1315 |
1.022 |
225 |
1392 |
|
|
20 |
B2 |
876 |
903 |
1.031 |
225 |
1393 |
|
|
21 |
B2 |
731 |
742 |
1.015 |
225 |
1394 |
C4H4S |
Thiophene |
1 |
A1 |
601 |
3126 |
5.198 |
226 |
1395 |
|
|
2 |
A1 |
834 |
3098 |
3.716 |
226 |
1396 |
|
|
3 |
A1 |
1037 |
1409 |
1.359 |
226 |
1397 |
|
|
4 |
A1 |
1065 |
1360 |
1.277 |
226 |
1398 |
|
|
5 |
A1 |
1350 |
1083 |
0.802 |
226 |
1399 |
|
|
6 |
A1 |
1411 |
1036 |
0.734 |
226 |
1400 |
|
|
7 |
A1 |
3142 |
872 |
0.278 |
226 |
1401 |
|
|
8 |
A1 |
3179 |
608 |
0.191 |
226 |
1402 |
|
|
9 |
A2 |
560 |
867 |
1.547 |
226 |
1403 |
|
|
10 |
A2 |
659 |
688 |
1.043 |
226 |
1404 |
|
|
11 |
A2 |
885 |
567 |
0.641 |
226 |
1405 |
|
|
12 |
B1 |
453 |
839 |
1.854 |
226 |
1406 |
|
|
13 |
B1 |
701 |
712 |
1.016 |
226 |
1407 |
|
|
14 |
B1 |
843 |
452 |
0.536 |
226 |
1408 |
|
|
15 |
B2 |
742 |
3125 |
4.214 |
226 |
1409 |
|
|
16 |
B2 |
851 |
3086 |
3.628 |
226 |
1410 |
|
|
17 |
B2 |
1066 |
1504 |
1.411 |
226 |
1411 |
|
|
18 |
B2 |
1230 |
1256 |
1.021 |
226 |
1412 |
|
|
19 |
B2 |
1497 |
1085 |
0.725 |
226 |
1413 |
|
|
20 |
B2 |
3128 |
903 |
0.289 |
226 |
1414 |
|
|
21 |
B2 |
3176 |
751 |
0.236 |
226 |
1415 |
CH2CHCHCH2 |
1,3-Butadiene |
1 |
Ag |
502 |
3087 |
6.149 |
227 |
1416 |
|
|
2 |
Ag |
880 |
3003 |
3.411 |
227 |
1417 |
|
|
3 |
Ag |
1196 |
2992 |
2.502 |
227 |
1418 |
|
|
4 |
Ag |
1271 |
1630 |
1.282 |
227 |
1419 |
|
|
5 |
Ag |
1424 |
1438 |
1.010 |
227 |
1420 |
|
|
6 |
Ag |
1647 |
1280 |
0.777 |
227 |
1421 |
|
|
7 |
Ag |
3052 |
1196 |
0.392 |
227 |
1422 |
|
|
8 |
Ag |
3067 |
894 |
0.291 |
227 |
1423 |
|
|
9 |
Ag |
3155 |
512 |
0.162 |
227 |
1424 |
|
|
10 |
Au |
177 |
1013 |
5.737 |
227 |
1425 |
|
|
11 |
Au |
525 |
908 |
1.731 |
227 |
1426 |
|
|
12 |
Au |
898 |
522 |
0.581 |
227 |
1427 |
|
|
13 |
Au |
1023 |
162 |
0.158 |
227 |
1428 |
|
|
14 |
Bg |
758 |
976 |
1.287 |
227 |
1429 |
|
|
15 |
Bg |
899 |
912 |
1.014 |
227 |
1430 |
|
|
16 |
Bg |
963 |
770 |
0.800 |
227 |
1431 |
|
|
17 |
Bu |
285 |
3101 |
10.900 |
227 |
1432 |
|
|
18 |
Bu |
967 |
3055 |
3.159 |
227 |
1433 |
|
|
19 |
Bu |
1272 |
2984 |
2.345 |
227 |
1434 |
|
|
20 |
Bu |
1369 |
1596 |
1.166 |
227 |
1435 |
|
|
21 |
Bu |
1600 |
1381 |
0.863 |
227 |
1436 |
|
|
22 |
Bu |
3063 |
1294 |
0.423 |
227 |
1437 |
|
|
23 |
Bu |
3067 |
990 |
0.323 |
227 |
1438 |
|
|
24 |
Bu |
3155 |
301 |
0.095 |
227 |
1439 |
CHCCH2CH3 |
1-Butyne |
1 |
A' |
193 |
3332 |
17.257 |
228 |
1440 |
|
|
2 |
A' |
504 |
2988 |
5.929 |
228 |
1441 |
|
|
3 |
A' |
625 |
|
|
228 |
1442 |
|
|
4 |
A' |
834 |
|
|
228 |
1443 |
|
|
5 |
A' |
1007 |
2116 |
2.101 |
228 |
1444 |
|
|
6 |
A' |
1051 |
1470 |
1.398 |
228 |
1445 |
|
|
7 |
A' |
1296 |
1446 |
1.116 |
228 |
1446 |
|
|
8 |
A' |
1358 |
1385 |
1.020 |
228 |
1447 |
|
|
9 |
A' |
1421 |
1322 |
0.930 |
228 |
1448 |
|
|
10 |
A' |
1454 |
1070 |
0.736 |
228 |
1449 |
|
|
11 |
A' |
2152 |
1008 |
0.468 |
228 |
1450 |
|
|
12 |
A' |
2951 |
840 |
0.285 |
228 |
1451 |
|
|
13 |
A' |
2975 |
634 |
0.213 |
228 |
1452 |
|
|
14 |
A' |
3049 |
509 |
0.167 |
228 |
1453 |
|
|
15 |
A' |
3397 |
197 |
0.058 |
228 |
1454 |
|
|
16 |
A" |
209 |
2988 |
14.289 |
228 |
1455 |
|
|
17 |
A" |
346 |
2939 |
8.485 |
228 |
1456 |
|
|
18 |
A" |
616 |
1462 |
2.375 |
228 |
1457 |
|
|
19 |
A" |
761 |
1261 |
1.657 |
228 |
1458 |
|
|
20 |
A" |
1063 |
1090 |
1.025 |
228 |
1459 |
|
|
21 |
A" |
1241 |
782 |
0.630 |
228 |
1460 |
|
|
22 |
A" |
1444 |
630 |
0.436 |
228 |
1461 |
|
|
23 |
A" |
2977 |
344 |
0.115 |
228 |
1462 |
|
|
24 |
A" |
3053 |
213 |
0.070 |
228 |
1463 |
CH3CCCH3 |
2-Butyne |
1 |
A1' |
718 |
2916 |
4.059 |
229 |
1464 |
|
|
2 |
A1' |
1361 |
2240 |
1.646 |
229 |
1465 |
|
|
3 |
A1' |
2289 |
1380 |
0.603 |
229 |
1466 |
|
|
4 |
A1' |
2953 |
725 |
0.245 |
229 |
1467 |
|
|
6 |
A2" |
1161 |
2938 |
2.531 |
229 |
1468 |
|
|
7 |
A2" |
1360 |
1382 |
1.016 |
229 |
1469 |
|
|
8 |
A2" |
2954 |
1152 |
0.390 |
229 |
1470 |
|
|
9 |
E' |
196 |
2973 |
15.202 |
229 |
1471 |
|
|
10 |
E' |
1022 |
1456 |
1.425 |
229 |
1472 |
|
|
11 |
E' |
1426 |
1054 |
0.739 |
229 |
1473 |
|
|
12 |
E' |
3012 |
213 |
0.071 |
229 |
1474 |
|
|
13 |
E" |
373 |
2966 |
7.952 |
229 |
1475 |
|
|
14 |
E" |
998 |
1448 |
1.450 |
229 |
1476 |
|
|
15 |
E" |
1426 |
1029 |
0.722 |
229 |
1477 |
|
|
16 |
E" |
3013 |
371 |
0.123 |
229 |
1478 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
201 |
3061 |
15.201 |
230 |
1479 |
|
|
2 |
A' |
555 |
3010 |
5.426 |
230 |
1480 |
|
|
3 |
A' |
830 |
2965 |
3.570 |
230 |
1481 |
|
|
4 |
A' |
860 |
2905 |
3.377 |
230 |
1482 |
|
|
5 |
A' |
1053 |
1970 |
1.871 |
230 |
1483 |
|
|
6 |
A' |
1123 |
1453 |
1.294 |
230 |
1484 |
|
|
7 |
A' |
1313 |
1437 |
1.094 |
230 |
1485 |
|
|
8 |
A' |
1351 |
1389 |
1.028 |
230 |
1486 |
|
|
9 |
A' |
1419 |
1330 |
0.937 |
230 |
1487 |
|
|
10 |
A' |
1453 |
1132 |
0.779 |
230 |
1488 |
|
|
11 |
A' |
2001 |
1074 |
0.537 |
230 |
1489 |
|
|
12 |
A' |
2956 |
876 |
0.296 |
230 |
1490 |
|
|
13 |
A' |
3038 |
859 |
0.283 |
230 |
1491 |
|
|
14 |
A' |
3045 |
555 |
0.182 |
230 |
1492 |
|
|
15 |
A' |
3059 |
210 |
0.069 |
230 |
1493 |
|
|
16 |
A" |
164 |
3061 |
18.659 |
230 |
1494 |
|
|
17 |
A" |
327 |
2965 |
9.067 |
230 |
1495 |
|
|
18 |
A" |
523 |
1453 |
2.780 |
230 |
1496 |
|
|
19 |
A" |
864 |
1110 |
1.285 |
230 |
1497 |
|
|
20 |
A" |
980 |
1011 |
1.032 |
230 |
1498 |
|
|
21 |
A" |
1017 |
842 |
0.828 |
230 |
1499 |
|
|
22 |
A" |
1430 |
523 |
0.366 |
230 |
1500 |
|
|
23 |
A" |
3006 |
322 |
0.107 |
230 |
1501 |
C4H6 |
Cyclobutene |
1 |
A1 |
877 |
3060 |
3.488 |
231 |
1502 |
|
|
2 |
A1 |
980 |
2935 |
2.994 |
231 |
1503 |
|
|
3 |
A1 |
1107 |
1570 |
1.418 |
231 |
1504 |
|
|
4 |
A1 |
1165 |
1450 |
1.245 |
231 |
1505 |
|
|
5 |
A1 |
1428 |
1276 |
0.894 |
231 |
1506 |
|
|
6 |
A1 |
1584 |
1186 |
0.749 |
231 |
1507 |
|
|
7 |
A1 |
2969 |
1113 |
0.375 |
231 |
1508 |
|
|
8 |
A1 |
3123 |
886 |
0.284 |
231 |
1509 |
|
|
9 |
A2 |
308 |
2955 |
9.605 |
231 |
1510 |
|
|
10 |
A2 |
901 |
1276 |
1.416 |
231 |
1511 |
|
|
11 |
A2 |
995 |
1081 |
1.086 |
231 |
1512 |
|
|
12 |
A2 |
1126 |
850 |
0.755 |
231 |
1513 |
|
|
13 |
A2 |
3002 |
325 |
0.108 |
231 |
1514 |
|
|
14 |
B1 |
622 |
2955 |
4.754 |
231 |
1515 |
|
|
15 |
B1 |
839 |
1074 |
1.280 |
231 |
1516 |
|
|
16 |
B1 |
1060 |
846 |
0.798 |
231 |
1517 |
|
|
17 |
B1 |
3016 |
635 |
0.211 |
231 |
1518 |
|
|
18 |
B2 |
833 |
3047 |
3.658 |
231 |
1519 |
|
|
19 |
B2 |
884 |
2916 |
3.300 |
231 |
1520 |
|
|
20 |
B2 |
1190 |
1427 |
1.199 |
231 |
1521 |
|
|
21 |
B2 |
1278 |
1294 |
1.013 |
231 |
1522 |
|
|
22 |
B2 |
1408 |
1214 |
0.862 |
231 |
1523 |
|
|
23 |
B2 |
2965 |
888 |
0.300 |
231 |
1524 |
|
|
24 |
B2 |
3091 |
740 |
0.239 |
231 |
1525 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
735 |
3010 |
4.097 |
232 |
1526 |
|
|
2 |
A1 |
988 |
3002 |
3.038 |
232 |
1527 |
|
|
3 |
A1 |
1048 |
1743 |
1.662 |
232 |
1528 |
|
|
4 |
A1 |
1392 |
1437 |
1.033 |
232 |
1529 |
|
|
5 |
A1 |
1430 |
1410 |
0.986 |
232 |
1530 |
|
|
6 |
A1 |
1785 |
1036 |
0.580 |
232 |
1531 |
|
|
7 |
A1 |
3038 |
1002 |
0.330 |
232 |
1532 |
|
|
8 |
A1 |
3055 |
723 |
0.237 |
232 |
1533 |
|
|
9 |
A2 |
593 |
3051 |
5.147 |
232 |
1534 |
|
|
10 |
A2 |
923 |
1144 |
1.239 |
232 |
1535 |
|
|
11 |
A2 |
1126 |
937 |
0.832 |
232 |
1536 |
|
|
12 |
A2 |
3107 |
616 |
0.198 |
232 |
1537 |
|
|
13 |
B1 |
277 |
3071 |
11.078 |
232 |
1538 |
|
|
14 |
B1 |
726 |
1072 |
1.477 |
232 |
1539 |
|
|
15 |
B1 |
878 |
889 |
1.012 |
232 |
1540 |
|
|
16 |
B1 |
1055 |
748 |
0.709 |
232 |
1541 |
|
|
17 |
B1 |
3120 |
360 |
0.115 |
232 |
1542 |
|
|
18 |
B2 |
345 |
3086 |
8.946 |
232 |
1543 |
|
|
19 |
B2 |
883 |
2999 |
3.397 |
232 |
1544 |
|
|
20 |
B2 |
1027 |
1353 |
1.317 |
232 |
1545 |
|
|
21 |
B2 |
1106 |
1174 |
1.062 |
232 |
1546 |
|
|
22 |
B2 |
1395 |
1125 |
0.807 |
232 |
1547 |
|
|
23 |
B2 |
3038 |
792 |
0.261 |
232 |
1548 |
|
|
24 |
B2 |
3134 |
290 |
0.093 |
232 |
1549 |
C4H6 |
Bicyclo[1.1.0]butane |
1 |
A1 |
409 |
3131 |
7.655 |
233 |
1550 |
|
|
2 |
A1 |
668 |
3044 |
4.558 |
233 |
1551 |
|
|
3 |
A1 |
863 |
2935 |
3.402 |
233 |
1552 |
|
|
4 |
A1 |
1077 |
1501 |
1.394 |
233 |
1553 |
|
|
5 |
A1 |
1269 |
1266 |
0.997 |
233 |
1554 |
|
|
6 |
A1 |
1476 |
1081 |
0.732 |
233 |
1555 |
|
|
7 |
A1 |
2979 |
839 |
0.282 |
233 |
1556 |
|
|
8 |
A1 |
3088 |
657 |
0.213 |
233 |
1557 |
|
|
9 |
A1 |
3172 |
423 |
0.133 |
233 |
1558 |
|
|
10 |
A2 |
830 |
1172 |
1.413 |
233 |
1559 |
|
|
11 |
A2 |
903 |
1063 |
1.177 |
233 |
1560 |
|
|
12 |
A2 |
1038 |
909 |
0.876 |
233 |
1561 |
|
|
13 |
A2 |
1137 |
838 |
0.737 |
233 |
1562 |
|
|
14 |
B1 |
738 |
3120 |
4.227 |
233 |
1563 |
|
|
15 |
B1 |
970 |
1110 |
1.145 |
233 |
1564 |
|
|
16 |
B1 |
1092 |
1092 |
1.000 |
233 |
1565 |
|
|
17 |
B1 |
1131 |
980 |
0.866 |
233 |
1566 |
|
|
18 |
B1 |
3159 |
737 |
0.233 |
233 |
1567 |
|
|
19 |
B2 |
923 |
3044 |
3.299 |
233 |
1568 |
|
|
20 |
B2 |
1076 |
2969 |
2.760 |
233 |
1569 |
|
|
21 |
B2 |
1278 |
1485 |
1.162 |
233 |
1570 |
|
|
22 |
B2 |
1436 |
1261 |
0.878 |
233 |
1571 |
|
|
23 |
B2 |
2984 |
1081 |
0.362 |
233 |
1572 |
|
|
24 |
B2 |
3091 |
935 |
0.303 |
233 |
1573 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
388 |
3345 |
8.624 |
234 |
1574 |
|
|
2 |
A' |
814 |
2985 |
3.665 |
234 |
1575 |
|
|
3 |
A' |
867 |
2840 |
3.277 |
234 |
1576 |
|
|
4 |
A' |
1036 |
2860 |
2.759 |
234 |
1577 |
|
|
5 |
A' |
1113 |
1622 |
1.457 |
234 |
1578 |
|
|
6 |
A' |
1329 |
1487 |
1.119 |
234 |
1579 |
|
|
7 |
A' |
1352 |
1465 |
1.084 |
234 |
1580 |
|
|
8 |
A' |
1434 |
1378 |
0.961 |
234 |
1581 |
|
|
9 |
A' |
1452 |
1397 |
0.962 |
234 |
1582 |
|
|
10 |
A' |
1607 |
1016 |
0.632 |
234 |
1583 |
|
|
11 |
A' |
2948 |
1086 |
0.368 |
234 |
1584 |
|
|
12 |
A' |
2955 |
892 |
0.302 |
234 |
1585 |
|
|
13 |
A' |
3018 |
773 |
0.256 |
234 |
1586 |
|
|
14 |
A' |
3403 |
403 |
0.118 |
234 |
1587 |
|
|
15 |
A" |
243 |
3412 |
14.047 |
234 |
1588 |
|
|
16 |
A" |
272 |
2924 |
10.748 |
234 |
1589 |
|
|
17 |
A" |
755 |
2906 |
3.851 |
234 |
1590 |
|
|
18 |
A" |
974 |
1455 |
1.495 |
234 |
1591 |
|
|
19 |
A" |
1225 |
1238 |
1.011 |
234 |
1592 |
|
|
20 |
A" |
1344 |
1293 |
0.962 |
234 |
1593 |
|
|
21 |
A" |
1442 |
1117 |
0.775 |
234 |
1594 |
|
|
22 |
A" |
2984 |
816 |
0.273 |
234 |
1595 |
|
|
23 |
A" |
3025 |
259 |
0.086 |
234 |
1596 |
|
|
24 |
A" |
3480 |
218 |
0.063 |
234 |
1597 |
C4H5N |
Pyrrole |
1 |
A1 |
3595 |
3531 |
0.982 |
235 |
1598 |
|
|
2 |
A1 |
3197 |
3149 |
0.985 |
235 |
1599 |
|
|
3 |
A1 |
3176 |
3128 |
0.985 |
235 |
1600 |
|
|
4 |
A1 |
1459 |
1472 |
1.009 |
235 |
1601 |
|
|
5 |
A1 |
1385 |
1401 |
1.012 |
235 |
1602 |
|
|
6 |
A1 |
1151 |
1148 |
0.998 |
235 |
1603 |
|
|
7 |
A1 |
1070 |
1075 |
1.004 |
235 |
1604 |
|
|
8 |
A1 |
1011 |
1017 |
1.006 |
235 |
1605 |
|
|
9 |
A1 |
873 |
882 |
1.010 |
235 |
1606 |
|
|
10 |
A2 |
848 |
864 |
1.019 |
235 |
1607 |
|
|
11 |
A2 |
658 |
692 |
1.052 |
235 |
1608 |
|
|
12 |
A2 |
610 |
614 |
1.006 |
235 |
1609 |
|
|
13 |
B1 |
801 |
827 |
1.032 |
235 |
1610 |
|
|
14 |
B1 |
702 |
722 |
1.029 |
235 |
1611 |
|
|
15 |
B1 |
626 |
621 |
0.991 |
235 |
1612 |
|
|
16 |
B1 |
477 |
475 |
0.995 |
235 |
1613 |
|
|
17 |
B2 |
3190 |
3143 |
0.985 |
235 |
1614 |
|
|
18 |
B2 |
3166 |
3119 |
0.985 |
235 |
1615 |
|
|
19 |
B2 |
1527 |
1519 |
0.995 |
235 |
1616 |
|
|
20 |
B2 |
1410 |
1424 |
1.010 |
235 |
1617 |
|
|
21 |
B2 |
1267 |
1288 |
1.017 |
235 |
1618 |
|
|
22 |
B2 |
1131 |
1134 |
1.003 |
235 |
1619 |
|
|
23 |
B2 |
1038 |
1049 |
1.010 |
235 |
1620 |
|
|
24 |
B2 |
846 |
866 |
1.023 |
235 |
1621 |
C4H5N |
Cyclopropanecarbonitrile |
1 |
A' |
207 |
3120 |
15.075 |
236 |
1622 |
|
|
2 |
A' |
519 |
3052 |
5.880 |
236 |
1623 |
|
|
3 |
A' |
739 |
3044 |
4.120 |
236 |
1624 |
|
|
4 |
A' |
793 |
2264 |
2.856 |
236 |
1625 |
|
|
5 |
A' |
948 |
1468 |
1.548 |
236 |
1626 |
|
|
6 |
A' |
1023 |
1344 |
1.313 |
236 |
1627 |
|
|
7 |
A' |
1102 |
1195 |
1.084 |
236 |
1628 |
|
|
8 |
A' |
1190 |
1125 |
0.946 |
236 |
1629 |
|
|
9 |
A' |
1336 |
1049 |
0.785 |
236 |
1630 |
|
|
10 |
A' |
1449 |
941 |
0.649 |
236 |
1631 |
|
|
11 |
A' |
2257 |
808 |
0.358 |
236 |
1632 |
|
|
12 |
A' |
3077 |
736 |
0.239 |
236 |
1633 |
|
|
13 |
A' |
3094 |
527 |
0.170 |
236 |
1634 |
|
|
14 |
A' |
3171 |
222 |
0.070 |
236 |
1635 |
|
|
15 |
A" |
209 |
3094 |
14.835 |
236 |
1636 |
|
|
16 |
A" |
537 |
3040 |
5.657 |
236 |
1637 |
|
|
17 |
A" |
806 |
1442 |
1.790 |
236 |
1638 |
|
|
18 |
A" |
871 |
1180 |
1.354 |
236 |
1639 |
|
|
19 |
A" |
1045 |
1070 |
1.023 |
236 |
1640 |
|
|
20 |
A" |
1070 |
1088 |
1.017 |
236 |
1641 |
|
|
21 |
A" |
1161 |
880 |
0.758 |
236 |
1642 |
|
|
22 |
A" |
1420 |
821 |
0.578 |
236 |
1643 |
|
|
23 |
A" |
3075 |
543 |
0.177 |
236 |
1644 |
|
|
24 |
A" |
3157 |
222 |
0.070 |
236 |
1645 |
C4H4N2 |
Succinonitrile |
1 |
Ag |
215 |
2947 |
13.733 |
237 |
1646 |
|
|
2 |
Ag |
503 |
2254 |
4.477 |
237 |
1647 |
|
|
3 |
Ag |
945 |
1422 |
1.504 |
237 |
1648 |
|
|
4 |
Ag |
999 |
1328 |
1.329 |
237 |
1649 |
|
|
5 |
Ag |
1321 |
1023 |
0.775 |
237 |
1650 |
|
|
6 |
Ag |
1415 |
809 |
0.572 |
237 |
1651 |
|
|
7 |
Ag |
2274 |
508 |
0.223 |
237 |
1652 |
|
|
8 |
Ag |
2983 |
187 |
0.063 |
237 |
1653 |
|
|
9 |
Au |
74 |
2985 |
40.237 |
237 |
1654 |
|
|
10 |
Au |
387 |
1197 |
3.096 |
237 |
1655 |
|
|
11 |
Au |
742 |
760 |
1.024 |
237 |
1656 |
|
|
12 |
Au |
1164 |
357 |
0.307 |
237 |
1657 |
|
|
13 |
Au |
3037 |
|
|
237 |
1658 |
|
|
14 |
Bg |
350 |
2982 |
8.517 |
237 |
1659 |
|
|
15 |
Bg |
990 |
1226 |
1.238 |
237 |
1660 |
|
|
16 |
Bg |
1266 |
951 |
0.751 |
237 |
1661 |
|
|
17 |
Bg |
3017 |
387 |
0.128 |
237 |
1662 |
|
|
18 |
Bu |
126 |
2965 |
23.592 |
237 |
1663 |
|
|
19 |
Bu |
513 |
2255 |
4.393 |
237 |
1664 |
|
|
20 |
Bu |
923 |
1425 |
1.544 |
237 |
1665 |
|
|
21 |
Bu |
1240 |
1270 |
1.024 |
237 |
1666 |
|
|
22 |
Bu |
1423 |
917 |
0.644 |
237 |
1667 |
|
|
23 |
Bu |
2276 |
526 |
0.231 |
237 |
1668 |
|
|
24 |
Bu |
2993 |
|
|
237 |
1669 |
C4H4N2 |
Pyridazine |
1 |
A1 |
657 |
3063 |
4.662 |
238 |
1670 |
|
|
2 |
A1 |
987 |
3043 |
3.084 |
238 |
1671 |
|
|
3 |
A1 |
1064 |
1572 |
1.477 |
238 |
1672 |
|
|
4 |
A1 |
1134 |
1414 |
1.247 |
238 |
1673 |
|
|
5 |
A1 |
1177 |
1283 |
1.090 |
238 |
1674 |
|
|
6 |
A1 |
1431 |
1160 |
0.811 |
238 |
1675 |
|
|
7 |
A1 |
1561 |
1063 |
0.681 |
238 |
1676 |
|
|
8 |
A1 |
3091 |
964 |
0.312 |
238 |
1677 |
|
|
9 |
A1 |
3120 |
619 |
0.198 |
238 |
1678 |
|
|
10 |
A2 |
345 |
936 |
2.714 |
238 |
1679 |
|
|
11 |
A2 |
754 |
863 |
1.144 |
238 |
1680 |
|
|
12 |
A2 |
912 |
751 |
0.823 |
238 |
1681 |
|
|
13 |
A2 |
988 |
421 |
0.426 |
238 |
1682 |
|
|
14 |
B1 |
340 |
|
|
238 |
1683 |
|
|
15 |
B1 |
732 |
760 |
1.039 |
238 |
1684 |
|
|
16 |
B1 |
951 |
370 |
0.389 |
238 |
1685 |
|
|
17 |
B2 |
609 |
3075 |
5.052 |
238 |
1686 |
|
|
18 |
B2 |
1023 |
3043 |
2.976 |
238 |
1687 |
|
|
19 |
B2 |
1053 |
1565 |
1.486 |
238 |
1688 |
|
|
20 |
B2 |
1269 |
1444 |
1.138 |
238 |
1689 |
|
|
21 |
B2 |
1388 |
1239 |
0.893 |
238 |
1690 |
|
|
22 |
B2 |
1551 |
1052 |
0.678 |
238 |
1691 |
|
|
23 |
B2 |
3086 |
1009 |
0.327 |
238 |
1692 |
|
|
24 |
B2 |
3106 |
664 |
0.214 |
238 |
1693 |
C4H4N2 |
1,3-Diazine |
1 |
A1 |
672 |
3082 |
4.588 |
239 |
1694 |
|
|
2 |
A1 |
979 |
3053 |
3.118 |
239 |
1695 |
|
|
3 |
A1 |
1054 |
3049 |
2.894 |
239 |
1696 |
|
|
4 |
A1 |
1132 |
1572 |
1.389 |
239 |
1697 |
|
|
5 |
A1 |
1394 |
1465 |
1.051 |
239 |
1698 |
|
|
6 |
A1 |
1559 |
1155 |
0.741 |
239 |
1699 |
|
|
7 |
A1 |
3069 |
1065 |
0.347 |
239 |
1700 |
|
|
8 |
A1 |
3082 |
969 |
0.314 |
239 |
1701 |
|
|
9 |
A1 |
3120 |
679 |
0.218 |
239 |
1702 |
|
|
10 |
A2 |
381 |
960 |
2.517 |
239 |
1703 |
|
|
11 |
A2 |
965 |
398 |
0.413 |
239 |
1704 |
|
|
12 |
B1 |
317 |
1033 |
3.257 |
239 |
1705 |
|
|
13 |
B1 |
718 |
980 |
1.365 |
239 |
1706 |
|
|
14 |
B1 |
795 |
804 |
1.012 |
239 |
1707 |
|
|
15 |
B1 |
949 |
719 |
0.758 |
239 |
1708 |
|
|
16 |
B1 |
989 |
347 |
0.351 |
239 |
1709 |
|
|
17 |
B2 |
611 |
3047 |
4.990 |
239 |
1710 |
|
|
18 |
B2 |
1062 |
1569 |
1.477 |
239 |
1711 |
|
|
19 |
B2 |
1202 |
1411 |
1.173 |
239 |
1712 |
|
|
20 |
B2 |
1241 |
1356 |
1.093 |
239 |
1713 |
|
|
21 |
B2 |
1347 |
1224 |
0.908 |
239 |
1714 |
|
|
22 |
B2 |
1446 |
1158 |
0.801 |
239 |
1715 |
|
|
23 |
B2 |
1558 |
1071 |
0.687 |
239 |
1716 |
|
|
24 |
B2 |
3072 |
621 |
0.202 |
239 |
1717 |
C4H4N2 |
Pyrazine |
1 |
Ag |
589 |
3055 |
5.190 |
240 |
1718 |
|
|
2 |
Ag |
1015 |
1580 |
1.556 |
240 |
1719 |
|
|
3 |
Ag |
1217 |
1233 |
1.013 |
240 |
1720 |
|
|
4 |
Ag |
1561 |
1016 |
0.651 |
240 |
1721 |
|
|
5 |
Ag |
3087 |
602 |
0.195 |
240 |
1722 |
|
|
6 |
Au |
311 |
960 |
3.090 |
240 |
1723 |
|
|
7 |
Au |
965 |
350 |
0.363 |
240 |
1724 |
|
|
8 |
B1g |
912 |
927 |
1.016 |
240 |
1725 |
|
|
9 |
B1u |
1000 |
3012 |
3.012 |
240 |
1726 |
|
|
10 |
B1u |
1136 |
1483 |
1.305 |
240 |
1727 |
|
|
11 |
B1u |
1464 |
1130 |
0.772 |
240 |
1728 |
|
|
12 |
B1u |
3067 |
1018 |
0.332 |
240 |
1729 |
|
|
13 |
B2g |
756 |
983 |
1.300 |
240 |
1730 |
|
|
14 |
B2g |
956 |
756 |
0.791 |
240 |
1731 |
|
|
15 |
B2u |
1058 |
3069 |
2.900 |
240 |
1732 |
|
|
16 |
B2u |
1236 |
1411 |
1.142 |
240 |
1733 |
|
|
17 |
B2u |
1399 |
1149 |
0.821 |
240 |
1734 |
|
|
18 |
B2u |
3081 |
1063 |
0.345 |
240 |
1735 |
|
|
19 |
B3g |
695 |
3040 |
4.371 |
240 |
1736 |
|
|
20 |
B3g |
1329 |
1525 |
1.148 |
240 |
1737 |
|
|
21 |
B3g |
1533 |
1346 |
0.878 |
240 |
1738 |
|
|
22 |
B3g |
3066 |
704 |
0.230 |
240 |
1739 |
|
|
23 |
B3u |
408 |
785 |
1.925 |
240 |
1740 |
|
|
24 |
B3u |
771 |
418 |
0.542 |
240 |
1741 |
C3H6O |
2-Propen-1-ol |
1 |
A |
114 |
3675 |
32.347 |
241 |
1742 |
|
|
2 |
A |
223 |
3102 |
13.889 |
241 |
1743 |
|
|
3 |
A |
319 |
3022 |
9.462 |
241 |
1744 |
|
|
4 |
A |
435 |
2995 |
6.891 |
241 |
1745 |
|
|
5 |
A |
634 |
2934 |
4.626 |
241 |
1746 |
|
|
6 |
A |
895 |
2866 |
3.204 |
241 |
1747 |
|
|
7 |
A |
918 |
1654 |
1.802 |
241 |
1748 |
|
|
8 |
A |
932 |
1453 |
1.559 |
241 |
1749 |
|
|
9 |
A |
994 |
1414 |
1.423 |
241 |
1750 |
|
|
10 |
A |
1016 |
1384 |
1.362 |
241 |
1751 |
|
|
11 |
A |
1125 |
1320 |
1.174 |
241 |
1752 |
|
|
12 |
A |
1187 |
1293 |
1.090 |
241 |
1753 |
|
|
13 |
A |
1232 |
1191 |
0.967 |
241 |
1754 |
|
|
14 |
A |
1271 |
1132 |
0.890 |
241 |
1755 |
|
|
15 |
A |
1366 |
1110 |
0.813 |
241 |
1756 |
|
|
16 |
A |
1414 |
1038 |
0.734 |
241 |
1757 |
|
|
17 |
A |
1448 |
995 |
0.687 |
241 |
1758 |
|
|
18 |
A |
1661 |
919 |
0.553 |
241 |
1759 |
|
|
19 |
A |
2893 |
885 |
0.306 |
241 |
1760 |
|
|
20 |
A |
2931 |
606 |
0.207 |
241 |
1761 |
|
|
22 |
A |
3073 |
377 |
0.123 |
241 |
1762 |
|
|
23 |
A |
3148 |
277 |
0.088 |
241 |
1763 |
|
|
24 |
A |
3741 |
188 |
0.050 |
241 |
1764 |
CH3CH2CHO |
Propanal |
1 |
A' |
3053 |
2981 |
0.976 |
242 |
1765 |
|
|
2 |
A' |
2982 |
2904 |
0.974 |
242 |
1766 |
|
|
3 |
A' |
2933 |
2895 |
0.987 |
242 |
1767 |
|
|
4 |
A' |
2764 |
2809 |
1.016 |
242 |
1768 |
|
|
5 |
A' |
1753 |
1743 |
0.994 |
242 |
1769 |
|
|
6 |
A' |
1449 |
1460 |
1.008 |
242 |
1770 |
|
|
7 |
A' |
1391 |
1416 |
1.018 |
242 |
1771 |
|
|
8 |
A' |
1369 |
1390 |
1.016 |
242 |
1772 |
|
|
9 |
A' |
1356 |
1376 |
1.015 |
242 |
1773 |
|
|
10 |
A' |
1308 |
1335 |
1.021 |
242 |
1774 |
|
|
11 |
A' |
1079 |
1093 |
1.013 |
242 |
1775 |
|
|
12 |
A' |
974 |
993 |
1.019 |
242 |
1776 |
|
|
13 |
A' |
834 |
848 |
1.016 |
242 |
1777 |
|
|
14 |
A' |
652 |
668 |
1.024 |
242 |
1778 |
|
|
15 |
A' |
241 |
271 |
1.124 |
242 |
1779 |
|
|
16 |
A" |
3052 |
2992 |
0.980 |
242 |
1780 |
|
|
17 |
A" |
2955 |
2942 |
0.996 |
242 |
1781 |
|
|
18 |
A" |
1440 |
1451 |
1.007 |
242 |
1782 |
|
|
19 |
A" |
1230 |
1250 |
1.016 |
242 |
1783 |
|
|
20 |
A" |
1097 |
1118 |
1.019 |
242 |
1784 |
|
|
21 |
A" |
869 |
892 |
1.027 |
242 |
1785 |
|
|
22 |
A" |
635 |
660 |
1.040 |
242 |
1786 |
|
|
23 |
A" |
218 |
220 |
1.011 |
242 |
1787 |
|
|
24 |
A" |
124 |
135 |
1.085 |
242 |
1788 |
C3H6S |
Thietane |
1 |
A' |
157 |
2994 |
19.120 |
243 |
1789 |
|
|
2 |
A' |
512 |
2972 |
5.799 |
243 |
1790 |
|
|
3 |
A' |
685 |
2946 |
4.302 |
243 |
1791 |
|
|
4 |
A' |
834 |
2903 |
3.481 |
243 |
1792 |
|
|
5 |
A' |
925 |
1470 |
1.589 |
243 |
1793 |
|
|
6 |
A' |
956 |
1452 |
1.519 |
243 |
1794 |
|
|
7 |
A' |
1163 |
1224 |
1.053 |
243 |
1795 |
|
|
8 |
A' |
1204 |
1183 |
0.982 |
243 |
1796 |
|
|
9 |
A' |
1432 |
975 |
0.681 |
243 |
1797 |
|
|
10 |
A' |
1452 |
933 |
0.643 |
243 |
1798 |
|
|
11 |
A' |
2972 |
845 |
0.284 |
243 |
1799 |
|
|
12 |
A' |
2982 |
700 |
0.235 |
243 |
1800 |
|
|
13 |
A' |
3021 |
529 |
0.175 |
243 |
1801 |
|
|
14 |
A' |
3049 |
|
|
243 |
1802 |
|
|
15 |
A" |
668 |
2994 |
4.485 |
243 |
1803 |
|
|
16 |
A" |
800 |
2950 |
3.689 |
243 |
1804 |
|
|
17 |
A" |
970 |
1454 |
1.499 |
243 |
1805 |
|
|
18 |
A" |
999 |
1281 |
1.282 |
243 |
1806 |
|
|
19 |
A" |
1145 |
1229 |
1.073 |
243 |
1807 |
|
|
20 |
A" |
1214 |
1165 |
0.960 |
243 |
1808 |
|
|
21 |
A" |
1263 |
1011 |
0.800 |
243 |
1809 |
|
|
22 |
A" |
1427 |
986 |
0.691 |
243 |
1810 |
|
|
23 |
A" |
2982 |
823 |
0.276 |
243 |
1811 |
|
|
24 |
A" |
3044 |
677 |
0.222 |
243 |
1812 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
110 |
2990 |
27.284 |
244 |
1813 |
|
|
2 |
A |
158 |
2983 |
18.839 |
244 |
1814 |
|
|
3 |
A |
225 |
2913 |
12.935 |
244 |
1815 |
|
|
4 |
A |
495 |
1426 |
2.880 |
244 |
1816 |
|
|
5 |
A |
668 |
1419 |
2.123 |
244 |
1817 |
|
|
6 |
A |
926 |
1311 |
1.416 |
244 |
1818 |
|
|
7 |
A |
935 |
955 |
1.022 |
244 |
1819 |
|
|
8 |
A |
1287 |
949 |
0.738 |
244 |
1820 |
|
|
9 |
A |
1409 |
694 |
0.492 |
244 |
1821 |
|
|
10 |
A |
1423 |
509 |
0.358 |
244 |
1822 |
|
|
11 |
A |
2973 |
240 |
0.081 |
244 |
1823 |
|
|
12 |
A |
3057 |
134 |
0.044 |
244 |
1824 |
|
|
13 |
A |
3074 |
117 |
0.038 |
244 |
1825 |
|
|
14 |
B |
155 |
2990 |
19.282 |
244 |
1826 |
|
|
15 |
B |
255 |
2983 |
11.717 |
244 |
1827 |
|
|
16 |
B |
668 |
2915 |
4.363 |
244 |
1828 |
|
|
17 |
B |
922 |
1430 |
1.551 |
244 |
1829 |
|
|
18 |
B |
931 |
1415 |
1.520 |
244 |
1830 |
|
|
19 |
B |
1280 |
1303 |
1.018 |
244 |
1831 |
|
|
20 |
B |
1404 |
955 |
0.680 |
244 |
1832 |
|
|
21 |
B |
1426 |
949 |
0.666 |
244 |
1833 |
|
|
22 |
B |
2971 |
691 |
0.233 |
244 |
1834 |
|
|
23 |
B |
3058 |
274 |
0.090 |
244 |
1835 |
|
|
24 |
B |
3074 |
134 |
0.044 |
244 |
1836 |
C3H8 |
Propane |
1 |
A1 |
3029 |
2977 |
0.983 |
245 |
1837 |
|
|
2 |
A1 |
2956 |
2962 |
1.002 |
245 |
1838 |
|
|
3 |
A1 |
2949 |
2887 |
0.979 |
245 |
1839 |
|
|
4 |
A1 |
1461 |
1476 |
1.011 |
245 |
1840 |
|
|
5 |
A1 |
1439 |
1462 |
1.016 |
245 |
1841 |
|
|
6 |
A1 |
1367 |
1392 |
1.018 |
245 |
1842 |
|
|
7 |
A1 |
1137 |
1158 |
1.019 |
245 |
1843 |
|
|
8 |
A1 |
860 |
869 |
1.011 |
245 |
1844 |
|
|
9 |
A1 |
355 |
369 |
1.039 |
245 |
1845 |
|
|
10 |
A2 |
3015 |
2967 |
0.984 |
245 |
1846 |
|
|
11 |
A2 |
1438 |
1451 |
1.009 |
245 |
1847 |
|
|
12 |
A2 |
1271 |
1278 |
1.005 |
245 |
1848 |
|
|
13 |
A2 |
878 |
940 |
1.070 |
245 |
1849 |
|
|
14 |
A2 |
217 |
216 |
0.996 |
245 |
1850 |
|
|
15 |
B1 |
3025 |
2973 |
0.983 |
245 |
1851 |
|
|
16 |
B1 |
2973 |
2968 |
0.998 |
245 |
1852 |
|
|
17 |
B1 |
1456 |
1472 |
1.011 |
245 |
1853 |
|
|
18 |
B1 |
1168 |
1192 |
1.021 |
245 |
1854 |
|
|
19 |
B1 |
726 |
748 |
1.031 |
245 |
1855 |
|
|
20 |
B1 |
261 |
268 |
1.027 |
245 |
1856 |
|
|
21 |
B2 |
3027 |
2968 |
0.981 |
245 |
1857 |
|
|
22 |
B2 |
2953 |
2887 |
0.978 |
245 |
1858 |
|
|
23 |
B2 |
1445 |
1464 |
1.013 |
245 |
1859 |
|
|
24 |
B2 |
1349 |
1378 |
1.022 |
245 |
1860 |
|
|
25 |
B2 |
1314 |
1338 |
1.018 |
245 |
1861 |
|
|
26 |
B2 |
1043 |
1054 |
1.010 |
245 |
1862 |
|
|
27 |
B2 |
898 |
922 |
1.027 |
245 |
1863 |
C5H6 |
1,3-Cyclopentadiene |
1 |
A1 |
3155 |
3091 |
0.980 |
246 |
1864 |
|
|
2 |
A1 |
3130 |
3075 |
0.982 |
246 |
1865 |
|
|
3 |
A1 |
2948 |
2886 |
0.979 |
246 |
1866 |
|
|
4 |
A1 |
1499 |
1500 |
1.001 |
246 |
1867 |
|
|
5 |
A1 |
1361 |
1378 |
1.012 |
246 |
1868 |
|
|
6 |
A1 |
1342 |
1365 |
1.017 |
246 |
1869 |
|
|
7 |
A1 |
1096 |
1106 |
1.010 |
246 |
1870 |
|
|
8 |
A1 |
1003 |
994 |
0.991 |
246 |
1871 |
|
|
9 |
A1 |
913 |
915 |
1.002 |
246 |
1872 |
|
|
10 |
A1 |
791 |
802 |
1.014 |
246 |
1873 |
|
|
11 |
A2 |
1076 |
1100 |
1.022 |
246 |
1874 |
|
|
12 |
A2 |
921 |
941 |
1.022 |
246 |
1875 |
|
|
13 |
A2 |
685 |
700 |
1.021 |
246 |
1876 |
|
|
14 |
A2 |
508 |
516 |
1.016 |
246 |
1877 |
|
|
15 |
B1 |
2972 |
2900 |
0.976 |
246 |
1878 |
|
|
16 |
B1 |
919 |
925 |
1.007 |
246 |
1879 |
|
|
17 |
B1 |
872 |
891 |
1.022 |
246 |
1880 |
|
|
18 |
B1 |
658 |
664 |
1.009 |
246 |
1881 |
|
|
19 |
B1 |
331 |
350 |
1.056 |
246 |
1882 |
|
|
20 |
B2 |
3149 |
3105 |
0.986 |
246 |
1883 |
|
|
21 |
B2 |
3120 |
3043 |
0.975 |
246 |
1884 |
|
|
22 |
B2 |
1582 |
1580 |
0.999 |
246 |
1885 |
|
|
23 |
B2 |
1272 |
1292 |
1.016 |
246 |
1886 |
|
|
24 |
B2 |
1216 |
1239 |
1.019 |
246 |
1887 |
|
|
25 |
B2 |
1075 |
1090 |
1.014 |
246 |
1888 |
|
|
26 |
B2 |
951 |
959 |
1.009 |
246 |
1889 |
|
|
27 |
B2 |
789 |
805 |
1.021 |
246 |
1890 |
C3H7N |
Cyclopropylamine |
1 |
A' |
398 |
3348 |
8.409 |
247 |
1891 |
|
|
2 |
A' |
747 |
3100 |
4.148 |
247 |
1892 |
|
|
3 |
A' |
778 |
3032 |
3.899 |
247 |
1893 |
|
|
4 |
A' |
812 |
2975 |
3.665 |
247 |
1894 |
|
|
5 |
A' |
987 |
1617 |
1.638 |
247 |
1895 |
|
|
6 |
A' |
1008 |
1456 |
1.445 |
247 |
1896 |
|
|
7 |
A' |
1140 |
1374 |
1.206 |
247 |
1897 |
|
|
8 |
A' |
1213 |
1214 |
1.001 |
247 |
1898 |
|
|
9 |
A' |
1357 |
1168 |
0.861 |
247 |
1899 |
|
|
10 |
A' |
1446 |
1150 |
0.796 |
247 |
1900 |
|
|
11 |
A' |
1603 |
1020 |
0.636 |
247 |
1901 |
|
|
12 |
A' |
2988 |
989 |
0.331 |
247 |
1902 |
|
|
13 |
A' |
3067 |
805 |
0.262 |
247 |
1903 |
|
|
14 |
A' |
3157 |
762 |
0.241 |
247 |
1904 |
|
|
15 |
A' |
3411 |
408 |
0.120 |
247 |
1905 |
|
|
16 |
A" |
255 |
3412 |
13.371 |
247 |
1906 |
|
|
17 |
A" |
388 |
3100 |
7.994 |
247 |
1907 |
|
|
18 |
A" |
815 |
3023 |
3.709 |
247 |
1908 |
|
|
19 |
A" |
876 |
1424 |
1.625 |
247 |
1909 |
|
|
20 |
A" |
1026 |
1104 |
1.076 |
247 |
1910 |
|
|
21 |
A" |
1087 |
1045 |
0.962 |
247 |
1911 |
|
|
22 |
A" |
1155 |
1026 |
0.888 |
247 |
1912 |
|
|
23 |
A" |
1223 |
940 |
0.769 |
247 |
1913 |
|
|
24 |
A" |
1403 |
884 |
0.630 |
247 |
1914 |
|
|
25 |
A" |
3063 |
830 |
0.271 |
247 |
1915 |
|
|
26 |
A" |
3144 |
396 |
0.126 |
247 |
1916 |
|
|
27 |
A" |
3488 |
254 |
0.073 |
247 |
1917 |
C5H5N |
Pyridine |
1 |
A1 |
593 |
3094 |
5.222 |
248 |
1918 |
|
|
2 |
A1 |
980 |
3073 |
3.134 |
248 |
1919 |
|
|
3 |
A1 |
1022 |
3030 |
2.964 |
248 |
1920 |
|
|
4 |
A1 |
1064 |
1584 |
1.488 |
248 |
1921 |
|
|
5 |
A1 |
1207 |
1483 |
1.229 |
248 |
1922 |
|
|
6 |
A1 |
1464 |
1218 |
0.832 |
248 |
1923 |
|
|
7 |
A1 |
1575 |
1072 |
0.680 |
248 |
1924 |
|
|
8 |
A1 |
3070 |
1032 |
0.336 |
248 |
1925 |
|
|
9 |
A1 |
3097 |
991 |
0.320 |
248 |
1926 |
|
|
10 |
A1 |
3120 |
601 |
0.193 |
248 |
1927 |
|
|
11 |
A2 |
358 |
980 |
2.738 |
248 |
1928 |
|
|
12 |
A2 |
867 |
880 |
1.015 |
248 |
1929 |
|
|
13 |
A2 |
967 |
373 |
0.386 |
248 |
1930 |
|
|
14 |
B1 |
399 |
1007 |
2.525 |
248 |
1931 |
|
|
15 |
B1 |
694 |
937 |
1.350 |
248 |
1932 |
|
|
16 |
B1 |
741 |
744 |
1.004 |
248 |
1933 |
|
|
17 |
B1 |
925 |
700 |
0.757 |
248 |
1934 |
|
|
18 |
B1 |
984 |
403 |
0.410 |
248 |
1935 |
|
|
19 |
B2 |
646 |
3087 |
4.779 |
248 |
1936 |
|
|
20 |
B2 |
1049 |
3042 |
2.900 |
248 |
1937 |
|
|
21 |
B2 |
1137 |
1581 |
1.390 |
248 |
1938 |
|
|
22 |
B2 |
1293 |
1442 |
1.115 |
248 |
1939 |
|
|
23 |
B2 |
1337 |
1362 |
1.019 |
248 |
1940 |
|
|
24 |
B2 |
1426 |
1227 |
0.860 |
248 |
1941 |
|
|
25 |
B2 |
1574 |
1143 |
0.727 |
248 |
1942 |
|
|
26 |
B2 |
3067 |
1079 |
0.352 |
248 |
1943 |
|
|
27 |
B2 |
3112 |
652 |
0.210 |
248 |
1944 |
CHOCHCHCH3 |
2-Butenal |
1 |
A' |
202 |
3058 |
15.103 |
249 |
1945 |
|
|
2 |
A' |
448 |
2995 |
6.688 |
249 |
1946 |
|
|
3 |
A' |
529 |
2963 |
5.603 |
249 |
1947 |
|
|
4 |
A' |
913 |
2938 |
3.217 |
249 |
1948 |
|
|
5 |
A' |
1077 |
2805 |
2.604 |
249 |
1949 |
|
|
6 |
A' |
1136 |
1720 |
1.514 |
249 |
1950 |
|
|
7 |
A' |
1232 |
1649 |
1.339 |
249 |
1951 |
|
|
8 |
A' |
1284 |
1455 |
1.134 |
249 |
1952 |
|
|
9 |
A' |
1354 |
1391 |
1.027 |
249 |
1953 |
|
|
10 |
A' |
1363 |
1375 |
1.008 |
249 |
1954 |
|
|
11 |
A' |
1431 |
1304 |
0.911 |
249 |
1955 |
|
|
12 |
A' |
1647 |
1253 |
0.761 |
249 |
1956 |
|
|
13 |
A' |
1706 |
1147 |
0.672 |
249 |
1957 |
|
|
14 |
A' |
2764 |
1074 |
0.389 |
249 |
1958 |
|
|
15 |
A' |
2954 |
973 |
0.329 |
249 |
1959 |
|
|
16 |
A' |
3034 |
539 |
0.178 |
249 |
1960 |
|
|
17 |
A' |
3056 |
464 |
0.152 |
249 |
1961 |
|
|
18 |
A' |
3086 |
230 |
0.075 |
249 |
1962 |
|
|
19 |
A" |
123 |
2980 |
24.260 |
249 |
1963 |
|
|
20 |
A" |
195 |
1455 |
7.453 |
249 |
1964 |
|
|
21 |
A" |
294 |
1042 |
3.539 |
249 |
1965 |
|
|
22 |
A" |
772 |
973 |
1.261 |
249 |
1966 |
|
|
23 |
A" |
969 |
928 |
0.957 |
249 |
1967 |
|
|
24 |
A" |
990 |
780 |
0.788 |
249 |
1968 |
|
|
25 |
A" |
1025 |
295 |
0.288 |
249 |
1969 |
|
|
26 |
A" |
1423 |
173 |
0.122 |
249 |
1970 |
|
|
27 |
A" |
3000 |
122 |
0.041 |
249 |
1971 |
C2H6O2S |
Dimethyl sulfone |
1 |
A1 |
3093 |
3018 |
0.976 |
250 |
1972 |
|
|
2 |
A1 |
2992 |
2936 |
0.981 |
250 |
1973 |
|
|
3 |
A1 |
1408 |
1451 |
1.030 |
250 |
1974 |
|
|
4 |
A1 |
1288 |
1337 |
1.038 |
250 |
1975 |
|
|
5 |
A1 |
1125 |
1121 |
0.996 |
250 |
1976 |
|
|
6 |
A1 |
968 |
1013 |
1.046 |
250 |
1977 |
|
|
7 |
A1 |
649 |
703 |
1.084 |
250 |
1978 |
|
|
8 |
A1 |
465 |
496 |
1.067 |
250 |
1979 |
|
|
9 |
A1 |
260 |
294 |
1.131 |
250 |
1980 |
|
|
10 |
A2 |
3095 |
3024 |
0.977 |
250 |
1981 |
|
|
11 |
A2 |
1395 |
1405 |
1.007 |
250 |
1982 |
|
|
12 |
A2 |
890 |
937 |
1.053 |
250 |
1983 |
|
|
13 |
A2 |
282 |
326 |
1.158 |
250 |
1984 |
|
|
14 |
A2 |
179 |
|
|
250 |
1985 |
|
|
15 |
B1 |
3099 |
3025 |
0.976 |
250 |
1986 |
|
|
16 |
B1 |
1414 |
1428 |
1.010 |
250 |
1987 |
|
|
17 |
B1 |
1312 |
1269 |
0.967 |
250 |
1988 |
|
|
18 |
B1 |
946 |
986 |
1.043 |
250 |
1989 |
|
|
19 |
B1 |
342 |
396 |
1.156 |
250 |
1990 |
|
|
20 |
B1 |
209 |
262 |
1.251 |
250 |
1991 |
|
|
21 |
B2 |
3092 |
3017 |
0.976 |
250 |
1992 |
|
|
22 |
B2 |
2990 |
2936 |
0.982 |
250 |
1993 |
|
|
23 |
B2 |
1397 |
1438 |
1.029 |
250 |
1994 |
|
|
24 |
B2 |
1272 |
1322 |
1.039 |
250 |
1995 |
|
|
25 |
B2 |
900 |
958 |
1.064 |
250 |
1996 |
|
|
26 |
B2 |
708 |
771 |
1.090 |
250 |
1997 |
|
|
27 |
B2 |
435 |
465 |
1.069 |
250 |
1998 |
CH3CHClCH3 |
Propane, 2-chloro- |
1 |
A' |
3059 |
3005 |
0.982 |
251 |
1999 |
|
|
2 |
A' |
3037 |
2955 |
0.973 |
251 |
2000 |
|
|
3 |
A' |
2998 |
2927 |
0.976 |
251 |
2001 |
|
|
4 |
A' |
2966 |
2878 |
0.970 |
251 |
2002 |
|
|
5 |
A' |
1455 |
1472 |
1.012 |
251 |
2003 |
|
|
6 |
A' |
1439 |
1454 |
1.010 |
251 |
2004 |
|
|
7 |
A' |
1365 |
1390 |
1.019 |
251 |
2005 |
|
|
8 |
A' |
1234 |
1270 |
1.029 |
251 |
2006 |
|
|
9 |
A' |
1141 |
1163 |
1.019 |
251 |
2007 |
|
|
10 |
A' |
1039 |
1065 |
1.025 |
251 |
2008 |
|
|
11 |
A' |
872 |
888 |
1.019 |
251 |
2009 |
|
|
12 |
A' |
603 |
633 |
1.050 |
251 |
2010 |
|
|
13 |
A' |
408 |
418 |
1.025 |
251 |
2011 |
|
|
14 |
A' |
326 |
336 |
1.030 |
251 |
2012 |
|
|
15 |
A' |
259 |
253 |
0.977 |
251 |
2013 |
|
|
16 |
A" |
3056 |
2997 |
0.981 |
251 |
2014 |
|
|
17 |
A" |
3031 |
2985 |
0.985 |
251 |
2015 |
|
|
18 |
A" |
2961 |
2947 |
0.995 |
251 |
2016 |
|
|
19 |
A" |
1434 |
1472 |
1.027 |
251 |
2017 |
|
|
20 |
A" |
1426 |
1454 |
1.020 |
251 |
2018 |
|
|
21 |
A" |
1349 |
1377 |
1.021 |
251 |
2019 |
|
|
22 |
A" |
1309 |
1334 |
1.019 |
251 |
2020 |
|
|
23 |
A" |
1118 |
1123 |
1.005 |
251 |
2021 |
|
|
24 |
A" |
918 |
972 |
1.059 |
251 |
2022 |
|
|
25 |
A" |
906 |
936 |
1.033 |
251 |
2023 |
|
|
26 |
A" |
312 |
317 |
1.015 |
251 |
2024 |
|
|
27 |
A" |
233 |
276 |
1.185 |
251 |
2025 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
1 |
A |
110 |
3022 |
27.469 |
252 |
2026 |
|
|
2 |
A |
198 |
3004 |
15.178 |
252 |
2027 |
|
|
3 |
A |
245 |
2991 |
12.186 |
252 |
2028 |
|
|
4 |
A |
272 |
2970 |
10.922 |
252 |
2029 |
|
|
5 |
A |
339 |
2949 |
8.697 |
252 |
2030 |
|
|
6 |
A |
397 |
2908 |
7.323 |
252 |
2031 |
|
|
7 |
A |
650 |
1462 |
2.249 |
252 |
2032 |
|
|
8 |
A |
716 |
1459 |
2.036 |
252 |
2033 |
|
|
9 |
A |
845 |
1446 |
1.710 |
252 |
2034 |
|
|
10 |
A |
887 |
1391 |
1.568 |
252 |
2035 |
|
|
11 |
A |
992 |
1347 |
1.357 |
252 |
2036 |
|
|
12 |
A |
1044 |
1286 |
1.232 |
252 |
2037 |
|
|
13 |
A |
1115 |
1238 |
1.110 |
252 |
2038 |
|
|
14 |
A |
1164 |
1181 |
1.015 |
252 |
2039 |
|
|
15 |
A |
1211 |
1120 |
0.925 |
252 |
2040 |
|
|
16 |
A |
1249 |
1076 |
0.861 |
252 |
2041 |
|
|
17 |
A |
1323 |
1023 |
0.773 |
252 |
2042 |
|
|
18 |
A |
1357 |
890 |
0.656 |
252 |
2043 |
|
|
19 |
A |
1425 |
850 |
0.597 |
252 |
2044 |
|
|
20 |
A |
1438 |
750 |
0.522 |
252 |
2045 |
|
|
21 |
A |
1446 |
685 |
0.474 |
252 |
2046 |
|
|
22 |
A |
2975 |
417 |
0.140 |
252 |
2047 |
|
|
23 |
A |
3011 |
358 |
0.119 |
252 |
2048 |
|
|
24 |
A |
3020 |
285 |
0.094 |
252 |
2049 |
|
|
25 |
A |
3049 |
250 |
0.082 |
252 |
2050 |
|
|
26 |
A |
3064 |
203 |
0.066 |
252 |
2051 |
|
|
27 |
A |
3083 |
108 |
0.035 |
252 |
2052 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
367 |
2989 |
8.139 |
253 |
2053 |
|
|
2 |
A1 |
805 |
2941 |
3.653 |
253 |
2054 |
|
|
3 |
A1 |
1044 |
2911 |
2.789 |
253 |
2055 |
|
|
4 |
A1 |
1356 |
1661 |
1.225 |
253 |
2056 |
|
|
5 |
A1 |
1390 |
1470 |
1.058 |
253 |
2057 |
|
|
6 |
A1 |
1448 |
1416 |
0.978 |
253 |
2058 |
|
|
7 |
A1 |
1667 |
1366 |
0.819 |
253 |
2059 |
|
|
8 |
A1 |
2949 |
1064 |
0.361 |
253 |
2060 |
|
|
9 |
A1 |
3046 |
801 |
0.263 |
253 |
2061 |
|
|
10 |
A1 |
3060 |
383 |
0.125 |
253 |
2062 |
|
|
11 |
A2 |
164 |
2970 |
18.121 |
253 |
2063 |
|
|
12 |
A2 |
677 |
1459 |
2.155 |
253 |
2064 |
|
|
13 |
A2 |
981 |
1076 |
1.097 |
253 |
2065 |
|
|
14 |
A2 |
1416 |
|
|
253 |
2066 |
|
|
15 |
A2 |
2993 |
193 |
0.064 |
253 |
2067 |
|
|
16 |
B1 |
204 |
2945 |
14.447 |
253 |
2068 |
|
|
17 |
B1 |
425 |
1444 |
3.394 |
253 |
2069 |
|
|
18 |
B1 |
876 |
1079 |
1.232 |
253 |
2070 |
|
|
19 |
B1 |
1061 |
890 |
0.839 |
253 |
2071 |
|
|
20 |
B1 |
1435 |
429 |
0.299 |
253 |
2072 |
|
|
21 |
B1 |
2995 |
196 |
0.065 |
253 |
2073 |
|
|
22 |
B2 |
423 |
3086 |
7.299 |
253 |
2074 |
|
|
23 |
B2 |
926 |
2980 |
3.217 |
253 |
2075 |
|
|
24 |
B2 |
956 |
2893 |
3.027 |
253 |
2076 |
|
|
25 |
B2 |
1259 |
1458 |
1.158 |
253 |
2077 |
|
|
26 |
B2 |
1352 |
1381 |
1.021 |
253 |
2078 |
|
|
27 |
B2 |
1429 |
1282 |
0.897 |
253 |
2079 |
|
|
28 |
B2 |
2944 |
1043 |
0.354 |
253 |
2080 |
|
|
29 |
B2 |
3044 |
974 |
0.320 |
253 |
2081 |
|
|
30 |
B2 |
3141 |
430 |
0.137 |
253 |
2082 |
CH3CHCHCH3 |
2-Butene, (Z)- |
1 |
A1 |
279 |
3033 |
10.886 |
254 |
2083 |
|
|
2 |
A1 |
854 |
2965 |
3.473 |
254 |
2084 |
|
|
3 |
A1 |
989 |
2878 |
2.909 |
254 |
2085 |
|
|
4 |
A1 |
1249 |
1669 |
1.337 |
254 |
2086 |
|
|
5 |
A1 |
1361 |
1448 |
1.064 |
254 |
2087 |
|
|
6 |
A1 |
1442 |
1397 |
0.969 |
254 |
2088 |
|
|
7 |
A1 |
1678 |
1261 |
0.752 |
254 |
2089 |
|
|
8 |
A1 |
2953 |
986 |
0.334 |
254 |
2090 |
|
|
9 |
A1 |
3045 |
880 |
0.289 |
254 |
2091 |
|
|
10 |
A1 |
3071 |
290 |
0.094 |
254 |
2092 |
|
|
11 |
A2 |
136 |
2988 |
21.902 |
254 |
2093 |
|
|
12 |
A2 |
385 |
1464 |
3.805 |
254 |
2094 |
|
|
13 |
A2 |
968 |
1037 |
1.071 |
254 |
2095 |
|
|
14 |
A2 |
1016 |
880 |
0.866 |
254 |
2096 |
|
|
15 |
A2 |
1427 |
396 |
0.278 |
254 |
2097 |
|
|
17 |
B1 |
121 |
2965 |
24.524 |
254 |
2098 |
|
|
18 |
B1 |
669 |
1448 |
2.164 |
254 |
2099 |
|
|
19 |
B1 |
1021 |
986 |
0.966 |
254 |
2100 |
|
|
20 |
B1 |
1431 |
673 |
0.470 |
254 |
2101 |
|
|
22 |
B2 |
551 |
3033 |
5.501 |
254 |
2102 |
|
|
23 |
B2 |
960 |
2965 |
3.089 |
254 |
2103 |
|
|
24 |
B2 |
1118 |
2900 |
2.594 |
254 |
2104 |
|
|
25 |
B2 |
1336 |
1448 |
1.084 |
254 |
2105 |
|
|
26 |
B2 |
1384 |
1420 |
1.026 |
254 |
2106 |
|
|
27 |
B2 |
1435 |
1397 |
0.973 |
254 |
2107 |
|
|
28 |
B2 |
2951 |
1135 |
0.385 |
254 |
2108 |
|
|
29 |
B2 |
3033 |
986 |
0.325 |
254 |
2109 |
|
|
30 |
B2 |
3052 |
583 |
0.191 |
254 |
2110 |
CH3CHCHCH3 |
2-Butene, (E)- |
1 |
Ag |
489 |
3011 |
6.160 |
255 |
2111 |
|
|
2 |
Ag |
854 |
2954 |
3.460 |
255 |
2112 |
|
|
3 |
Ag |
1133 |
2874 |
2.538 |
255 |
2113 |
|
|
4 |
Ag |
1287 |
1680 |
1.306 |
255 |
2114 |
|
|
5 |
Ag |
1358 |
1457 |
1.073 |
255 |
2115 |
|
|
6 |
Ag |
1436 |
1385 |
0.964 |
255 |
2116 |
|
|
7 |
Ag |
1687 |
1309 |
0.776 |
255 |
2117 |
|
|
8 |
Ag |
2947 |
1146 |
0.389 |
255 |
2118 |
|
|
9 |
Ag |
3025 |
866 |
0.286 |
255 |
2119 |
|
|
10 |
Ag |
3041 |
501 |
0.165 |
255 |
2120 |
|
|
11 |
Au |
176 |
2960 |
16.788 |
255 |
2121 |
|
|
12 |
Au |
239 |
1449 |
6.069 |
255 |
2122 |
|
|
13 |
Au |
964 |
1057 |
1.096 |
255 |
2123 |
|
|
14 |
Au |
1026 |
964 |
0.940 |
255 |
2124 |
|
|
15 |
Au |
1425 |
224 |
0.157 |
255 |
2125 |
|
|
17 |
Bg |
230 |
2954 |
12.840 |
255 |
2126 |
|
|
18 |
Bg |
733 |
1457 |
1.988 |
255 |
2127 |
|
|
19 |
Bg |
1025 |
1039 |
1.014 |
255 |
2128 |
|
|
20 |
Bg |
1426 |
750 |
0.526 |
255 |
2129 |
|
|
22 |
Bu |
273 |
3021 |
11.064 |
255 |
2130 |
|
|
23 |
Bu |
952 |
2960 |
3.108 |
255 |
2131 |
|
|
24 |
Bu |
1060 |
2899 |
2.735 |
255 |
2132 |
|
|
25 |
Bu |
1279 |
1449 |
1.133 |
255 |
2133 |
|
|
26 |
Bu |
1357 |
1393 |
1.026 |
255 |
2134 |
|
|
27 |
Bu |
1445 |
1311 |
0.907 |
255 |
2135 |
|
|
28 |
Bu |
2947 |
1072 |
0.364 |
255 |
2136 |
|
|
29 |
Bu |
3026 |
987 |
0.326 |
255 |
2137 |
|
|
30 |
Bu |
3047 |
261 |
0.086 |
255 |
2138 |
C6H6 |
Benzene |
1 |
A1g |
3121 |
3062 |
0.981 |
256 |
2139 |
|
|
2 |
A1g |
994 |
992 |
0.998 |
256 |
2140 |
|
|
3 |
A2g |
1327 |
1326 |
0.999 |
256 |
2141 |
|
|
4 |
A2u |
663 |
673 |
1.015 |
256 |
2142 |
|
|
5 |
B1u |
3081 |
3068 |
0.996 |
256 |
2143 |
|
|
6 |
B1u |
883 |
1010 |
1.144 |
256 |
2144 |
|
|
7 |
B2g |
980 |
995 |
1.015 |
256 |
2145 |
|
|
8 |
B2g |
682 |
703 |
1.030 |
256 |
2146 |
|
|
9 |
B2u |
1342 |
1310 |
0.976 |
256 |
2147 |
|
|
10 |
B2u |
1138 |
1150 |
1.010 |
256 |
2148 |
|
|
11 |
E1g |
835 |
849 |
1.016 |
256 |
2149 |
|
|
12 |
E1u |
3111 |
3063 |
0.985 |
256 |
2150 |
|
|
13 |
E1u |
1463 |
1486 |
1.016 |
256 |
2151 |
|
|
14 |
E1u |
1034 |
1038 |
1.003 |
256 |
2152 |
|
|
15 |
E2g |
3095 |
3047 |
0.984 |
256 |
2153 |
|
|
16 |
E2g |
1588 |
1596 |
1.005 |
256 |
2154 |
|
|
17 |
E2g |
1161 |
1178 |
1.014 |
256 |
2155 |
|
|
18 |
E2g |
595 |
606 |
1.018 |
256 |
2156 |
|
|
19 |
E2u |
955 |
975 |
1.021 |
256 |
2157 |
|
|
20 |
E2u |
393 |
410 |
1.043 |
256 |
2158 |
C4H8 |
cyclobutane |
1 |
A1 |
3010 |
2951 |
0.980 |
257 |
2159 |
|
|
2 |
A1 |
2980 |
2862 |
0.961 |
257 |
2160 |
|
|
3 |
A1 |
1467 |
1468 |
1.001 |
257 |
2161 |
|
|
4 |
A1 |
1131 |
1153 |
1.020 |
257 |
2162 |
|
|
5 |
A1 |
1004 |
1004 |
1.000 |
257 |
2163 |
|
|
6 |
A1 |
205 |
199 |
0.972 |
257 |
2164 |
|
|
7 |
A2 |
1210 |
1260 |
1.042 |
257 |
2165 |
|
|
8 |
A2 |
932 |
941 |
1.010 |
257 |
2166 |
|
|
9 |
B1 |
1211 |
1231 |
1.017 |
257 |
2167 |
|
|
10 |
B1 |
1124 |
1142 |
1.016 |
257 |
2168 |
|
|
11 |
B1 |
928 |
928 |
1.000 |
257 |
2169 |
|
|
12 |
B2 |
3042 |
2973 |
0.977 |
257 |
2170 |
|
|
13 |
B2 |
2974 |
2934 |
0.987 |
257 |
2171 |
|
|
14 |
B2 |
1439 |
1440 |
1.001 |
257 |
2172 |
|
|
15 |
B2 |
865 |
883 |
1.021 |
257 |
2173 |
|
|
16 |
B2 |
610 |
625 |
1.025 |
257 |
2174 |
|
|
17 |
E |
3024 |
2959 |
0.978 |
257 |
2175 |
|
|
18 |
E |
2975 |
2862 |
0.962 |
257 |
2176 |
|
|
19 |
E |
1428 |
1441 |
1.009 |
257 |
2177 |
|
|
20 |
E |
1238 |
1252 |
1.012 |
257 |
2178 |
|
|
21 |
E |
1207 |
1217 |
1.008 |
257 |
2179 |
|
|
22 |
E |
898 |
893 |
0.994 |
257 |
2180 |
|
|
23 |
E |
732 |
746 |
1.018 |
257 |
2181 |
C6H6 |
Fulvene |
1 |
A1 |
661 |
3088 |
4.675 |
258 |
2182 |
|
|
2 |
A1 |
891 |
3051 |
3.424 |
258 |
2183 |
|
|
3 |
A1 |
989 |
3008 |
3.041 |
258 |
2184 |
|
|
4 |
A1 |
1067 |
1632 |
1.530 |
258 |
2185 |
|
|
5 |
A1 |
1326 |
1486 |
1.121 |
258 |
2186 |
|
|
6 |
A1 |
1406 |
1449 |
1.030 |
258 |
2187 |
|
|
7 |
A1 |
1485 |
1342 |
0.904 |
258 |
2188 |
|
|
8 |
A1 |
1648 |
1082 |
0.657 |
258 |
2189 |
|
|
9 |
A1 |
3067 |
986 |
0.321 |
258 |
2190 |
|
|
10 |
A1 |
3139 |
894 |
0.285 |
258 |
2191 |
|
|
11 |
A1 |
3162 |
641 |
0.203 |
258 |
2192 |
|
|
12 |
A2 |
470 |
|
|
258 |
2193 |
|
|
13 |
A2 |
668 |
|
|
258 |
2194 |
|
|
14 |
A2 |
752 |
666 |
0.885 |
258 |
2195 |
|
|
15 |
A2 |
908 |
494 |
0.544 |
258 |
2196 |
|
|
16 |
B1 |
198 |
926 |
4.669 |
258 |
2197 |
|
|
17 |
B1 |
620 |
907 |
1.462 |
258 |
2198 |
|
|
18 |
B1 |
766 |
769 |
1.004 |
258 |
2199 |
|
|
19 |
B1 |
896 |
613 |
0.684 |
258 |
2200 |
|
|
20 |
B1 |
930 |
|
|
258 |
2201 |
|
|
21 |
B2 |
331 |
|
|
258 |
2202 |
|
|
22 |
B2 |
779 |
3104 |
3.984 |
258 |
2203 |
|
|
23 |
B2 |
934 |
3075 |
3.291 |
258 |
2204 |
|
|
24 |
B2 |
1070 |
1550 |
1.449 |
258 |
2205 |
|
|
25 |
B2 |
1214 |
1314 |
1.082 |
258 |
2206 |
|
|
26 |
B2 |
1292 |
1232 |
0.954 |
258 |
2207 |
|
|
27 |
B2 |
1562 |
1077 |
0.689 |
258 |
2208 |
|
|
28 |
B2 |
3129 |
952 |
0.304 |
258 |
2209 |
|
|
29 |
B2 |
3154 |
795 |
0.252 |
258 |
2210 |
|
|
30 |
B2 |
3157 |
350 |
0.111 |
258 |
2211 |
CH3CH2CH2CN |
Butanenitrile |
1 |
A' |
160 |
2977 |
18.584 |
259 |
2212 |
|
|
2 |
A' |
339 |
2895 |
8.548 |
259 |
2213 |
|
|
3 |
A' |
520 |
2888 |
5.556 |
259 |
2214 |
|
|
4 |
A' |
858 |
2883 |
3.361 |
259 |
2215 |
|
|
5 |
A' |
944 |
2263 |
2.396 |
259 |
2216 |
|
|
6 |
A' |
1027 |
1472 |
1.433 |
259 |
2217 |
|
|
7 |
A' |
1077 |
1457 |
1.352 |
259 |
2218 |
|
|
8 |
A' |
1253 |
1438 |
1.148 |
259 |
2219 |
|
|
9 |
A' |
1326 |
1393 |
1.050 |
259 |
2220 |
|
|
10 |
A' |
1366 |
1346 |
0.985 |
259 |
2221 |
|
|
11 |
A' |
1414 |
1334 |
0.943 |
259 |
2222 |
|
|
12 |
A' |
1443 |
1100 |
0.762 |
259 |
2223 |
|
|
13 |
A' |
1457 |
1053 |
0.723 |
259 |
2224 |
|
|
14 |
A' |
2267 |
920 |
0.406 |
259 |
2225 |
|
|
15 |
A' |
2960 |
842 |
0.284 |
259 |
2226 |
|
|
16 |
A' |
2963 |
551 |
0.186 |
259 |
2227 |
|
|
17 |
A' |
2979 |
358 |
0.120 |
259 |
2228 |
|
|
18 |
A' |
3042 |
|
|
259 |
2229 |
|
|
19 |
A" |
96 |
2986 |
31.056 |
259 |
2230 |
|
|
20 |
A" |
244 |
2964 |
12.149 |
259 |
2231 |
|
|
21 |
A" |
375 |
2950 |
7.858 |
259 |
2232 |
|
|
22 |
A" |
721 |
1469 |
2.038 |
259 |
2233 |
|
|
23 |
A" |
844 |
1267 |
1.502 |
259 |
2234 |
|
|
24 |
A" |
1084 |
1234 |
1.138 |
259 |
2235 |
|
|
25 |
A" |
1213 |
1083 |
0.893 |
259 |
2236 |
|
|
26 |
A" |
1281 |
871 |
0.680 |
259 |
2237 |
|
|
27 |
A" |
1451 |
764 |
0.527 |
259 |
2238 |
|
|
28 |
A" |
2990 |
370 |
0.124 |
259 |
2239 |
|
|
29 |
A" |
3012 |
|
|
259 |
2240 |
|
|
30 |
A" |
3035 |
|
|
259 |
2241 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
1 |
A' |
186 |
2991 |
16.056 |
260 |
2242 |
|
|
2 |
A' |
335 |
2957 |
8.821 |
260 |
2243 |
|
|
3 |
A' |
664 |
2920 |
4.399 |
260 |
2244 |
|
|
4 |
A' |
716 |
2871 |
4.011 |
260 |
2245 |
|
|
5 |
A' |
929 |
2830 |
3.047 |
260 |
2246 |
|
|
6 |
A' |
972 |
1461 |
1.502 |
260 |
2247 |
|
|
7 |
A' |
1055 |
1435 |
1.360 |
260 |
2248 |
|
|
8 |
A' |
1240 |
1427 |
1.151 |
260 |
2249 |
|
|
9 |
A' |
1299 |
1377 |
1.060 |
260 |
2250 |
|
|
10 |
A' |
1358 |
1321 |
0.972 |
260 |
2251 |
|
|
11 |
A' |
1428 |
1262 |
0.884 |
260 |
2252 |
|
|
12 |
A' |
1432 |
1060 |
0.740 |
260 |
2253 |
|
|
13 |
A' |
1452 |
|
|
260 |
2254 |
|
|
14 |
A' |
2953 |
968 |
0.328 |
260 |
2255 |
|
|
15 |
A' |
2960 |
727 |
0.246 |
260 |
2256 |
|
|
16 |
A' |
2969 |
654 |
0.220 |
260 |
2257 |
|
|
17 |
A' |
3038 |
353 |
0.116 |
260 |
2258 |
|
|
18 |
A' |
3064 |
227 |
0.074 |
260 |
2259 |
|
|
19 |
A" |
74 |
2991 |
40.505 |
260 |
2260 |
|
|
20 |
A" |
167 |
2957 |
17.692 |
260 |
2261 |
|
|
21 |
A" |
228 |
2920 |
12.780 |
260 |
2262 |
|
|
22 |
A" |
764 |
1449 |
1.895 |
260 |
2263 |
|
|
23 |
A" |
934 |
1435 |
1.536 |
260 |
2264 |
|
|
24 |
A" |
1007 |
1239 |
1.230 |
260 |
2265 |
|
|
25 |
A" |
1218 |
|
|
260 |
2266 |
|
|
26 |
A" |
1414 |
954 |
0.675 |
260 |
2267 |
|
|
27 |
A" |
1441 |
757 |
0.525 |
260 |
2268 |
|
|
28 |
A" |
2994 |
|
|
260 |
2269 |
|
|
29 |
A" |
3033 |
|
|
260 |
2270 |
|
|
30 |
A" |
3044 |
|
|
260 |
2271 |
C5H6S |
Thiophene, 3-methyl- |
1 |
A' |
313 |
3111 |
9.936 |
261 |
2272 |
|
|
2 |
A' |
535 |
3104 |
5.805 |
261 |
2273 |
|
|
3 |
A' |
651 |
3062 |
4.701 |
261 |
2274 |
|
|
4 |
A' |
825 |
2971 |
3.601 |
261 |
2275 |
|
|
5 |
A' |
854 |
2923 |
3.422 |
261 |
2276 |
|
|
6 |
A' |
922 |
1543 |
1.674 |
261 |
2277 |
|
|
7 |
A' |
975 |
1447 |
1.484 |
261 |
2278 |
|
|
8 |
A' |
1066 |
1407 |
1.320 |
261 |
2279 |
|
|
9 |
A' |
1141 |
1385 |
1.214 |
261 |
2280 |
|
|
10 |
A' |
1214 |
1373 |
1.131 |
261 |
2281 |
|
|
11 |
A' |
1358 |
1234 |
0.909 |
261 |
2282 |
|
|
12 |
A' |
1375 |
1154 |
0.839 |
261 |
2283 |
|
|
13 |
A' |
1405 |
1080 |
0.769 |
261 |
2284 |
|
|
14 |
A' |
1447 |
993 |
0.686 |
261 |
2285 |
|
|
15 |
A' |
1536 |
931 |
0.606 |
261 |
2286 |
|
|
16 |
A' |
2961 |
857 |
0.289 |
261 |
2287 |
|
|
17 |
A' |
3047 |
830 |
0.272 |
261 |
2288 |
|
|
18 |
A' |
3122 |
659 |
0.211 |
261 |
2289 |
|
|
19 |
A' |
3164 |
542 |
0.171 |
261 |
2290 |
|
|
20 |
A' |
3175 |
329 |
0.104 |
261 |
2291 |
|
|
21 |
A" |
102 |
2945 |
28.763 |
261 |
2292 |
|
|
22 |
A" |
228 |
1452 |
6.381 |
261 |
2293 |
|
|
23 |
A" |
457 |
1036 |
2.268 |
261 |
2294 |
|
|
24 |
A" |
590 |
874 |
1.482 |
261 |
2295 |
|
|
25 |
A" |
658 |
762 |
1.157 |
261 |
2296 |
|
|
26 |
A" |
745 |
685 |
0.919 |
261 |
2297 |
|
|
27 |
A" |
858 |
594 |
0.693 |
261 |
2298 |
|
|
28 |
A" |
1017 |
464 |
0.456 |
261 |
2299 |
|
|
29 |
A" |
1433 |
238 |
0.166 |
261 |
2300 |
|
|
30 |
A" |
3012 |
|
|
261 |
2301 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1 |
A |
103 |
3088 |
30.059 |
262 |
2302 |
|
|
2 |
A |
241 |
3017 |
12.534 |
262 |
2303 |
|
|
3 |
A |
272 |
3011 |
11.065 |
262 |
2304 |
|
|
4 |
A |
294 |
2990 |
10.184 |
262 |
2305 |
|
|
5 |
A |
309 |
2974 |
9.633 |
262 |
2306 |
|
|
6 |
A |
444 |
2967 |
6.679 |
262 |
2307 |
|
|
7 |
A |
610 |
2927 |
4.797 |
262 |
2308 |
|
|
8 |
A |
696 |
1645 |
2.363 |
262 |
2309 |
|
|
9 |
A |
847 |
1452 |
1.714 |
262 |
2310 |
|
|
10 |
A |
919 |
1447 |
1.575 |
262 |
2311 |
|
|
11 |
A |
947 |
1424 |
1.504 |
262 |
2312 |
|
|
12 |
A |
989 |
1375 |
1.391 |
262 |
2313 |
|
|
13 |
A |
1002 |
1297 |
1.294 |
262 |
2314 |
|
|
14 |
A |
1073 |
1283 |
1.196 |
262 |
2315 |
|
|
15 |
A |
1157 |
1233 |
1.066 |
262 |
2316 |
|
|
16 |
A |
1205 |
1174 |
0.974 |
262 |
2317 |
|
|
17 |
A |
1270 |
1090 |
0.858 |
262 |
2318 |
|
|
18 |
A |
1287 |
1025 |
0.797 |
262 |
2319 |
|
|
19 |
A |
1352 |
988 |
0.731 |
262 |
2320 |
|
|
20 |
A |
1406 |
966 |
0.687 |
262 |
2321 |
|
|
21 |
A |
1433 |
931 |
0.650 |
262 |
2322 |
|
|
22 |
A |
1441 |
864 |
0.600 |
262 |
2323 |
|
|
23 |
A |
1651 |
708 |
0.429 |
262 |
2324 |
|
|
24 |
A |
2968 |
625 |
0.211 |
262 |
2325 |
|
|
25 |
A |
3011 |
456 |
0.151 |
262 |
2326 |
|
|
26 |
A |
3042 |
319 |
0.105 |
262 |
2327 |
|
|
27 |
A |
3059 |
305 |
0.100 |
262 |
2328 |
|
|
28 |
A |
3063 |
283 |
0.092 |
262 |
2329 |
|
|
29 |
A |
3072 |
245 |
0.080 |
262 |
2330 |
|
|
30 |
A |
3151 |
92 |
0.029 |
262 |
2331 |
C6H5Cl |
chlorobenzene |
1 |
A1 |
407 |
3084 |
7.581 |
263 |
2332 |
|
|
2 |
A1 |
691 |
3054 |
4.421 |
263 |
2333 |
|
|
3 |
A1 |
956 |
3031 |
3.169 |
263 |
2334 |
|
|
4 |
A1 |
1018 |
1586 |
1.559 |
263 |
2335 |
|
|
5 |
A1 |
1072 |
1483 |
1.384 |
263 |
2336 |
|
|
6 |
A1 |
1161 |
1174 |
1.011 |
263 |
2337 |
|
|
7 |
A1 |
1459 |
1092 |
0.748 |
263 |
2338 |
|
|
8 |
A1 |
1576 |
1025 |
0.651 |
263 |
2339 |
|
|
9 |
A1 |
3098 |
1003 |
0.324 |
263 |
2340 |
|
|
10 |
A1 |
3121 |
706 |
0.226 |
263 |
2341 |
|
|
11 |
A1 |
3132 |
417 |
0.133 |
263 |
2342 |
|
|
12 |
A2 |
400 |
961 |
2.400 |
263 |
2343 |
|
|
13 |
A2 |
814 |
832 |
1.022 |
263 |
2344 |
|
|
14 |
A2 |
951 |
403 |
0.424 |
263 |
2345 |
|
|
15 |
B1 |
181 |
981 |
5.411 |
263 |
2346 |
|
|
16 |
B1 |
466 |
902 |
1.935 |
263 |
2347 |
|
|
17 |
B1 |
677 |
741 |
1.093 |
263 |
2348 |
|
|
18 |
B1 |
731 |
685 |
0.936 |
263 |
2349 |
|
|
19 |
B1 |
890 |
467 |
0.524 |
263 |
2350 |
|
|
20 |
B1 |
970 |
198 |
0.204 |
263 |
2351 |
|
|
21 |
B2 |
290 |
3098 |
10.666 |
263 |
2352 |
|
|
22 |
B2 |
603 |
3067 |
5.089 |
263 |
2353 |
|
|
23 |
B2 |
1067 |
1598 |
1.497 |
263 |
2354 |
|
|
24 |
B2 |
1146 |
1448 |
1.264 |
263 |
2355 |
|
|
25 |
B2 |
1287 |
1326 |
1.030 |
263 |
2356 |
|
|
26 |
B2 |
1336 |
1271 |
0.951 |
263 |
2357 |
|
|
27 |
B2 |
1430 |
1157 |
0.809 |
263 |
2358 |
|
|
28 |
B2 |
1579 |
1068 |
0.676 |
263 |
2359 |
|
|
29 |
B2 |
3106 |
615 |
0.198 |
263 |
2360 |
|
|
30 |
B2 |
3130 |
295 |
0.094 |
263 |
2361 |
C5H8 |
1,3-Butadiene, 2-methyl- |
1 |
A' |
268 |
3095 |
11.554 |
264 |
2362 |
|
|
2 |
A' |
413 |
3095 |
7.488 |
264 |
2363 |
|
|
3 |
A' |
519 |
3000 |
5.778 |
264 |
2364 |
|
|
4 |
A' |
782 |
3000 |
3.836 |
264 |
2365 |
|
|
5 |
A' |
935 |
3000 |
3.208 |
264 |
2366 |
|
|
6 |
A' |
975 |
2984 |
3.061 |
264 |
2367 |
|
|
7 |
A' |
1051 |
2904 |
2.763 |
264 |
2368 |
|
|
8 |
A' |
1278 |
1638 |
1.282 |
264 |
2369 |
|
|
9 |
A' |
1294 |
1607 |
1.241 |
264 |
2370 |
|
|
10 |
A' |
1356 |
1464 |
1.079 |
264 |
2371 |
|
|
11 |
A' |
1382 |
1420 |
1.027 |
264 |
2372 |
|
|
12 |
A' |
1406 |
1389 |
0.988 |
264 |
2373 |
|
|
13 |
A' |
1448 |
1363 |
0.941 |
264 |
2374 |
|
|
14 |
A' |
1606 |
1313 |
0.817 |
264 |
2375 |
|
|
15 |
A' |
1640 |
1303 |
0.794 |
264 |
2376 |
|
|
16 |
A' |
2959 |
1072 |
0.362 |
264 |
2377 |
|
|
17 |
A' |
3052 |
1012 |
0.332 |
264 |
2378 |
|
|
18 |
A' |
3059 |
953 |
0.311 |
264 |
2379 |
|
|
19 |
A' |
3066 |
770 |
0.251 |
264 |
2380 |
|
|
20 |
A' |
3075 |
530 |
0.172 |
264 |
2381 |
|
|
21 |
A' |
3150 |
396 |
0.126 |
264 |
2382 |
|
|
22 |
A' |
3157 |
196 |
0.062 |
264 |
2383 |
|
|
23 |
A" |
161 |
2949 |
18.354 |
264 |
2384 |
|
|
24 |
A" |
190 |
1451 |
7.645 |
264 |
2385 |
|
|
25 |
A" |
398 |
1034 |
2.600 |
264 |
2386 |
|
|
26 |
A" |
622 |
991 |
1.594 |
264 |
2387 |
|
|
27 |
A" |
762 |
907 |
1.190 |
264 |
2388 |
|
|
28 |
A" |
883 |
907 |
1.027 |
264 |
2389 |
|
|
29 |
A" |
894 |
757 |
0.847 |
264 |
2390 |
|
|
30 |
A" |
990 |
615 |
0.621 |
264 |
2391 |
|
|
31 |
A" |
1027 |
290 |
0.282 |
264 |
2392 |
|
|
32 |
A" |
1428 |
153 |
0.107 |
264 |
2393 |
C5H8 |
Cyclopentene |
1 |
A' |
144 |
3066 |
21.349 |
265 |
2394 |
|
|
2 |
A' |
588 |
2958 |
5.028 |
265 |
2395 |
|
|
3 |
A' |
688 |
2916 |
4.237 |
265 |
2396 |
|
|
4 |
A' |
797 |
2902 |
3.641 |
265 |
2397 |
|
|
5 |
A' |
891 |
2852 |
3.199 |
265 |
2398 |
|
|
6 |
A' |
959 |
1616 |
1.686 |
265 |
2399 |
|
|
7 |
A' |
1026 |
1467 |
1.430 |
265 |
2400 |
|
|
8 |
A' |
1091 |
1449 |
1.328 |
265 |
2401 |
|
|
9 |
A' |
1186 |
1302 |
1.098 |
265 |
2402 |
|
|
10 |
A' |
1275 |
1284 |
1.007 |
265 |
2403 |
|
|
11 |
A' |
1428 |
1213 |
0.850 |
265 |
2404 |
|
|
12 |
A' |
1451 |
1048 |
0.722 |
265 |
2405 |
|
|
13 |
A' |
1626 |
964 |
0.593 |
265 |
2406 |
|
|
14 |
A' |
2926 |
962 |
0.329 |
265 |
2407 |
|
|
15 |
A' |
2971 |
904 |
0.304 |
265 |
2408 |
|
|
16 |
A' |
2991 |
692 |
0.231 |
265 |
2409 |
|
|
17 |
A' |
3029 |
603 |
0.199 |
265 |
2410 |
|
|
18 |
A' |
3125 |
254 |
0.081 |
265 |
2411 |
|
|
19 |
A" |
382 |
3039 |
7.966 |
265 |
2412 |
|
|
20 |
A" |
761 |
2967 |
3.901 |
265 |
2413 |
|
|
21 |
A" |
864 |
2927 |
3.386 |
265 |
2414 |
|
|
22 |
A" |
899 |
1467 |
1.633 |
265 |
2415 |
|
|
23 |
A" |
934 |
1432 |
1.534 |
265 |
2416 |
|
|
24 |
A" |
1014 |
1356 |
1.338 |
265 |
2417 |
|
|
25 |
A" |
1109 |
1302 |
1.174 |
265 |
2418 |
|
|
26 |
A" |
1178 |
1297 |
1.101 |
265 |
2419 |
|
|
27 |
A" |
1258 |
1207 |
0.960 |
265 |
2420 |
|
|
28 |
A" |
1271 |
1113 |
0.876 |
265 |
2421 |
|
|
29 |
A" |
1332 |
1082 |
0.812 |
265 |
2422 |
|
|
30 |
A" |
1431 |
937 |
0.655 |
265 |
2423 |
|
|
31 |
A" |
2929 |
800 |
0.273 |
265 |
2424 |
|
|
32 |
A" |
2982 |
702 |
0.235 |
265 |
2425 |
|
|
33 |
A" |
3100 |
387 |
0.125 |
265 |
2426 |
C5H8 |
1,2-Butadiene, 3-methyl- |
1 |
A1 |
330 |
2987 |
9.039 |
266 |
2427 |
|
|
2 |
A1 |
725 |
2941 |
4.057 |
266 |
2428 |
|
|
3 |
A1 |
993 |
2916 |
2.937 |
266 |
2429 |
|
|
4 |
A1 |
1276 |
1996 |
1.564 |
266 |
2430 |
|
|
5 |
A1 |
1357 |
1470 |
1.083 |
266 |
2431 |
|
|
6 |
A1 |
1418 |
1438 |
1.014 |
266 |
2432 |
|
|
7 |
A1 |
1463 |
1369 |
0.935 |
266 |
2433 |
|
|
8 |
A1 |
2000 |
1286 |
0.643 |
266 |
2434 |
|
|
9 |
A1 |
2949 |
973 |
0.330 |
266 |
2435 |
|
|
10 |
A1 |
3037 |
726 |
0.239 |
266 |
2436 |
|
|
11 |
A1 |
3059 |
349 |
0.114 |
266 |
2437 |
|
|
12 |
A2 |
158 |
2941 |
18.617 |
266 |
2438 |
|
|
13 |
A2 |
594 |
1470 |
2.473 |
266 |
2439 |
|
|
14 |
A2 |
965 |
985 |
1.021 |
266 |
2440 |
|
|
15 |
A2 |
1421 |
617 |
0.434 |
266 |
2441 |
|
|
17 |
B1 |
173 |
3051 |
17.600 |
266 |
2442 |
|
|
18 |
B1 |
250 |
2941 |
11.757 |
266 |
2443 |
|
|
19 |
B1 |
440 |
1470 |
3.338 |
266 |
2444 |
|
|
20 |
B1 |
983 |
1068 |
1.087 |
266 |
2445 |
|
|
21 |
B1 |
1052 |
1004 |
0.954 |
266 |
2446 |
|
|
22 |
B1 |
1438 |
443 |
0.308 |
266 |
2447 |
|
|
23 |
B1 |
2996 |
187 |
0.062 |
266 |
2448 |
|
|
25 |
B2 |
176 |
2941 |
16.732 |
266 |
2449 |
|
|
26 |
B2 |
586 |
2916 |
4.975 |
266 |
2450 |
|
|
27 |
B2 |
833 |
1470 |
1.764 |
266 |
2451 |
|
|
28 |
B2 |
934 |
1369 |
1.466 |
266 |
2452 |
|
|
29 |
B2 |
1177 |
1191 |
1.012 |
266 |
2453 |
|
|
30 |
B2 |
1340 |
968 |
0.722 |
266 |
2454 |
|
|
31 |
B2 |
1428 |
848 |
0.594 |
266 |
2455 |
|
|
32 |
B2 |
2946 |
554 |
0.188 |
266 |
2456 |
|
|
33 |
B2 |
3059 |
187 |
0.061 |
266 |
2457 |
C5H8 |
1,3-Pentadiene, (E)- |
1 |
A' |
190 |
3090 |
16.293 |
267 |
2458 |
|
|
2 |
A' |
439 |
3015 |
6.871 |
267 |
2459 |
|
|
3 |
A' |
473 |
3015 |
6.374 |
267 |
2460 |
|
|
4 |
A' |
882 |
3015 |
3.420 |
267 |
2461 |
|
|
5 |
A' |
961 |
3015 |
3.138 |
267 |
2462 |
|
|
6 |
A' |
1079 |
2940 |
2.725 |
267 |
2463 |
|
|
7 |
A' |
1181 |
2919 |
2.473 |
267 |
2464 |
|
|
8 |
A' |
1250 |
1661 |
1.328 |
267 |
2465 |
|
|
9 |
A' |
1275 |
1610 |
1.262 |
267 |
2466 |
|
|
10 |
A' |
1290 |
1433 |
1.111 |
267 |
2467 |
|
|
11 |
A' |
1356 |
1422 |
1.049 |
267 |
2468 |
|
|
12 |
A' |
1403 |
1385 |
0.987 |
267 |
2469 |
|
|
13 |
A' |
1437 |
1316 |
0.916 |
267 |
2470 |
|
|
14 |
A' |
1613 |
1299 |
0.805 |
267 |
2471 |
|
|
15 |
A' |
1659 |
1280 |
0.772 |
267 |
2472 |
|
|
16 |
A' |
2944 |
1166 |
0.396 |
267 |
2473 |
|
|
17 |
A' |
3031 |
1037 |
0.342 |
267 |
2474 |
|
|
18 |
A' |
3041 |
985 |
0.324 |
267 |
2475 |
|
|
19 |
A' |
3051 |
862 |
0.283 |
267 |
2476 |
|
|
20 |
A' |
3057 |
483 |
0.158 |
267 |
2477 |
|
|
21 |
A' |
3067 |
418 |
0.136 |
267 |
2478 |
|
|
22 |
A' |
3155 |
212 |
0.067 |
267 |
2479 |
|
|
23 |
A" |
135 |
2971 |
21.949 |
267 |
2480 |
|
|
24 |
A" |
206 |
1453 |
7.062 |
267 |
2481 |
|
|
25 |
A" |
257 |
1017 |
3.964 |
267 |
2482 |
|
|
26 |
A" |
629 |
1002 |
1.592 |
267 |
2483 |
|
|
27 |
A" |
819 |
912 |
1.114 |
267 |
2484 |
|
|
28 |
A" |
884 |
899 |
1.017 |
267 |
2485 |
|
|
29 |
A" |
942 |
820 |
0.870 |
267 |
2486 |
|
|
30 |
A" |
1009 |
615 |
0.610 |
267 |
2487 |
|
|
33 |
A" |
2988 |
129 |
0.043 |
267 |
2488 |
C5H8 |
Spiropentane |
1 |
A1 |
596 |
3000 |
5.030 |
268 |
2489 |
|
|
2 |
A1 |
1016 |
1423 |
1.400 |
268 |
2490 |
|
|
3 |
A1 |
1054 |
1160 |
1.100 |
268 |
2491 |
|
|
4 |
A1 |
1440 |
1037 |
0.720 |
268 |
2492 |
|
|
5 |
A1 |
3048 |
588 |
0.193 |
268 |
2493 |
|
|
6 |
A2 |
809 |
3070 |
3.794 |
268 |
2494 |
|
|
7 |
A2 |
1129 |
1174 |
1.039 |
268 |
2495 |
|
|
8 |
A2 |
3120 |
919 |
0.295 |
268 |
2496 |
|
|
9 |
B1 |
284 |
3066 |
10.798 |
268 |
2497 |
|
|
10 |
B1 |
989 |
1166 |
1.179 |
268 |
2498 |
|
|
11 |
B1 |
1139 |
888 |
0.780 |
268 |
2499 |
|
|
12 |
B1 |
3118 |
300 |
0.096 |
268 |
2500 |
|
|
13 |
B2 |
889 |
3000 |
3.375 |
268 |
2501 |
|
|
14 |
B2 |
970 |
1521 |
1.569 |
268 |
2502 |
|
|
15 |
B2 |
1389 |
1415 |
1.019 |
268 |
2503 |
|
|
16 |
B2 |
1537 |
990 |
0.644 |
268 |
2504 |
|
|
17 |
B2 |
3047 |
872 |
0.286 |
268 |
2505 |
|
|
18 |
E |
295 |
3067 |
10.383 |
268 |
2506 |
|
|
19 |
E |
763 |
2985 |
3.914 |
268 |
2507 |
|
|
20 |
E |
871 |
1431 |
1.642 |
268 |
2508 |
|
|
21 |
E |
1032 |
1150 |
1.114 |
268 |
2509 |
|
|
22 |
E |
1142 |
1049 |
0.918 |
268 |
2510 |
|
|
23 |
E |
1411 |
870 |
0.617 |
268 |
2511 |
|
|
24 |
E |
3045 |
780 |
0.256 |
268 |
2512 |
|
|
25 |
E |
3133 |
308 |
0.098 |
268 |
2513 |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
1 |
A' |
224 |
2974 |
13.305 |
269 |
2514 |
|
|
2 |
A' |
321 |
2953 |
9.208 |
269 |
2515 |
|
|
3 |
A' |
338 |
2940 |
8.687 |
269 |
2516 |
|
|
4 |
A' |
530 |
2876 |
5.423 |
269 |
2517 |
|
|
5 |
A' |
823 |
2757 |
3.349 |
269 |
2518 |
|
|
6 |
A' |
893 |
1752 |
1.963 |
269 |
2519 |
|
|
7 |
A' |
1137 |
1474 |
1.296 |
269 |
2520 |
|
|
8 |
A' |
1142 |
1449 |
1.269 |
269 |
2521 |
|
|
9 |
A' |
1263 |
1399 |
1.108 |
269 |
2522 |
|
|
10 |
A' |
1353 |
1381 |
1.021 |
269 |
2523 |
|
|
11 |
A' |
1371 |
1329 |
0.970 |
269 |
2524 |
|
|
12 |
A' |
1451 |
1182 |
0.815 |
269 |
2525 |
|
|
13 |
A' |
1460 |
1138 |
0.780 |
269 |
2526 |
|
|
14 |
A' |
1752 |
922 |
0.526 |
269 |
2527 |
|
|
15 |
A' |
2734 |
800 |
0.293 |
269 |
2528 |
|
|
16 |
A' |
2960 |
632 |
0.213 |
269 |
2529 |
|
|
17 |
A' |
2988 |
395 |
0.132 |
269 |
2530 |
|
|
18 |
A' |
3031 |
272 |
0.090 |
269 |
2531 |
|
|
19 |
A' |
3042 |
212 |
0.070 |
269 |
2532 |
|
|
20 |
A" |
69 |
2990 |
43.423 |
269 |
2533 |
|
|
21 |
A" |
206 |
2982 |
14.493 |
269 |
2534 |
|
|
22 |
A" |
319 |
2885 |
9.058 |
269 |
2535 |
|
|
23 |
A" |
899 |
1467 |
1.632 |
269 |
2536 |
|
|
24 |
A" |
920 |
1452 |
1.578 |
269 |
2537 |
|
|
25 |
A" |
961 |
1437 |
1.496 |
269 |
2538 |
|
|
26 |
A" |
1095 |
1290 |
1.179 |
269 |
2539 |
|
|
27 |
A" |
1291 |
1109 |
0.859 |
269 |
2540 |
|
|
28 |
A" |
1342 |
965 |
0.719 |
269 |
2541 |
|
|
29 |
A" |
1435 |
942 |
0.656 |
269 |
2542 |
|
|
30 |
A" |
1437 |
933 |
0.649 |
269 |
2543 |
|
|
31 |
A" |
2958 |
351 |
0.119 |
269 |
2544 |
|
|
32 |
A" |
3026 |
227 |
0.075 |
269 |
2545 |
|
|
33 |
A" |
3041 |
75 |
0.025 |
269 |
2546 |
C4H8O |
Cyclobutanol |
1 |
A' |
174 |
3656 |
20.991 |
270 |
2547 |
|
|
2 |
A' |
442 |
2993 |
6.768 |
270 |
2548 |
|
|
3 |
A' |
586 |
2979 |
5.080 |
270 |
2549 |
|
|
4 |
A' |
732 |
2968 |
4.053 |
270 |
2550 |
|
|
5 |
A' |
880 |
2943 |
3.343 |
270 |
2551 |
|
|
6 |
A' |
957 |
2875 |
3.003 |
270 |
2552 |
|
|
7 |
A' |
1048 |
1469 |
1.402 |
270 |
2553 |
|
|
8 |
A' |
1098 |
1450 |
1.321 |
270 |
2554 |
|
|
9 |
A' |
1170 |
1393 |
1.190 |
270 |
2555 |
|
|
10 |
A' |
1215 |
1278 |
1.052 |
270 |
2556 |
|
|
11 |
A' |
1282 |
1241 |
0.968 |
270 |
2557 |
|
|
12 |
A' |
1379 |
1120 |
0.812 |
270 |
2558 |
|
|
13 |
A' |
1435 |
1097 |
0.764 |
270 |
2559 |
|
|
14 |
A' |
1455 |
1071 |
0.736 |
270 |
2560 |
|
|
15 |
A' |
2967 |
963 |
0.325 |
270 |
2561 |
|
|
16 |
A' |
2988 |
825 |
0.276 |
270 |
2562 |
|
|
17 |
A' |
2992 |
750 |
0.251 |
270 |
2563 |
|
|
18 |
A' |
3030 |
602 |
0.199 |
270 |
2564 |
|
|
19 |
A' |
3049 |
457 |
0.150 |
270 |
2565 |
|
|
20 |
A' |
3705 |
170 |
0.046 |
270 |
2566 |
|
|
21 |
A" |
290 |
2979 |
10.269 |
270 |
2567 |
|
|
22 |
A" |
393 |
2964 |
7.539 |
270 |
2568 |
|
|
23 |
A" |
761 |
1438 |
1.889 |
270 |
2569 |
|
|
24 |
A" |
896 |
1211 |
1.352 |
270 |
2570 |
|
|
25 |
A" |
912 |
1199 |
1.314 |
270 |
2571 |
|
|
26 |
A" |
1010 |
1160 |
1.149 |
270 |
2572 |
|
|
27 |
A" |
1140 |
1029 |
0.903 |
270 |
2573 |
|
|
28 |
A" |
1196 |
958 |
0.801 |
270 |
2574 |
|
|
29 |
A" |
1204 |
927 |
0.770 |
270 |
2575 |
|
|
30 |
A" |
1238 |
902 |
0.728 |
270 |
2576 |
|
|
31 |
A" |
1417 |
781 |
0.551 |
270 |
2577 |
|
|
32 |
A" |
2965 |
380 |
0.128 |
270 |
2578 |
|
|
33 |
A" |
3030 |
243 |
0.080 |
270 |
2579 |
CH3CH(CH3)CH3 |
Isobutane |
1 |
A1 |
3025 |
2965 |
0.980 |
271 |
2580 |
|
|
2 |
A1 |
2957 |
2904 |
0.982 |
271 |
2581 |
|
|
3 |
A1 |
2932 |
2880 |
0.982 |
271 |
2582 |
|
|
4 |
A1 |
1459 |
1477 |
1.012 |
271 |
2583 |
|
|
5 |
A1 |
1371 |
1394 |
1.017 |
271 |
2584 |
|
|
6 |
A1 |
1165 |
1177 |
1.010 |
271 |
2585 |
|
|
7 |
A1 |
784 |
797 |
1.016 |
271 |
2586 |
|
|
8 |
A1 |
418 |
426 |
1.020 |
271 |
2587 |
|
|
9 |
A2 |
3025 |
|
|
271 |
2588 |
|
|
10 |
A2 |
1427 |
|
|
271 |
2589 |
|
|
11 |
A2 |
915 |
|
|
271 |
2590 |
|
|
12 |
A2 |
199 |
198 |
0.996 |
271 |
2591 |
|
|
13 |
E |
3029 |
2962 |
0.978 |
271 |
2592 |
|
|
14 |
E |
3016 |
2951 |
0.978 |
271 |
2593 |
|
|
15 |
E |
2950 |
2887 |
0.979 |
271 |
2594 |
|
|
16 |
E |
1454 |
1468 |
1.010 |
271 |
2595 |
|
|
17 |
E |
1433 |
1459 |
1.018 |
271 |
2596 |
|
|
18 |
E |
1341 |
1371 |
1.023 |
271 |
2597 |
|
|
19 |
E |
1304 |
1330 |
1.020 |
271 |
2598 |
|
|
20 |
E |
1154 |
1166 |
1.011 |
271 |
2599 |
|
|
21 |
E |
946 |
961 |
1.015 |
271 |
2600 |
|
|
22 |
E |
887 |
918 |
1.035 |
271 |
2601 |
|
|
23 |
E |
346 |
367 |
1.062 |
271 |
2602 |
|
|
24 |
E |
241 |
280 |
1.164 |
271 |
2603 |
CH3CH2CH2CH3 |
Butane |
|
Ag |
413 |
1442 |
3.489 |
272 |
2604 |
|
|
|
Ag |
821 |
1151 |
1.402 |
272 |
2605 |
|
|
|
Au |
1244 |
1257 |
1.011 |
272 |
2606 |
|
|
|
Bg |
1446 |
1300 |
0.899 |
272 |
2607 |
|
|
|
Bu |
2944 |
2870 |
0.975 |
272 |
2608 |
|
|
|
Bu |
2956 |
1461 |
0.494 |
272 |
2609 |
|
|
|
Bu |
3029 |
271 |
0.089 |
272 |
2610 |
C6H8 |
(E)-hexa-1,3,5-triene |
1 |
Ag |
340 |
3085 |
9.070 |
273 |
2611 |
|
|
2 |
Ag |
436 |
3054 |
7.008 |
273 |
2612 |
|
|
3 |
Ag |
918 |
3054 |
3.326 |
273 |
2613 |
|
|
4 |
Ag |
1190 |
2989 |
2.511 |
273 |
2614 |
|
|
5 |
Ag |
1271 |
1627 |
1.280 |
273 |
2615 |
|
|
6 |
Ag |
1283 |
1579 |
1.231 |
273 |
2616 |
|
|
7 |
Ag |
1387 |
1400 |
1.009 |
273 |
2617 |
|
|
8 |
Ag |
1581 |
1288 |
0.815 |
273 |
2618 |
|
|
9 |
Ag |
1628 |
1220 |
0.749 |
273 |
2619 |
|
|
10 |
Ag |
3046 |
1192 |
0.391 |
273 |
2620 |
|
|
11 |
Ag |
3057 |
934 |
0.305 |
273 |
2621 |
|
|
12 |
Ag |
3068 |
444 |
0.145 |
273 |
2622 |
|
|
13 |
Ag |
3157 |
355 |
0.112 |
273 |
2623 |
|
|
14 |
Au |
97 |
1013 |
10.417 |
273 |
2624 |
|
|
15 |
Au |
250 |
941 |
3.762 |
273 |
2625 |
|
|
16 |
Au |
687 |
901 |
1.311 |
273 |
2626 |
|
|
17 |
Au |
885 |
683 |
0.772 |
273 |
2627 |
|
|
18 |
Au |
927 |
|
|
273 |
2628 |
|
|
19 |
Au |
1019 |
90 |
0.088 |
273 |
2629 |
|
|
20 |
Bg |
226 |
988 |
4.372 |
273 |
2630 |
|
|
21 |
Bg |
597 |
928 |
1.554 |
273 |
2631 |
|
|
22 |
Bg |
870 |
872 |
1.002 |
273 |
2632 |
|
|
23 |
Bg |
893 |
|
|
273 |
2633 |
|
|
24 |
Bg |
985 |
217 |
0.220 |
273 |
2634 |
|
|
25 |
Bu |
143 |
3099 |
21.701 |
273 |
2635 |
|
|
26 |
Bu |
526 |
3045 |
5.786 |
273 |
2636 |
|
|
27 |
Bu |
954 |
3019 |
3.166 |
273 |
2637 |
|
|
28 |
Bu |
1136 |
2953 |
2.600 |
273 |
2638 |
|
|
29 |
Bu |
1238 |
1629 |
1.316 |
273 |
2639 |
|
|
30 |
Bu |
1281 |
1432 |
1.118 |
273 |
2640 |
|
|
31 |
Bu |
1418 |
1295 |
0.913 |
273 |
2641 |
|
|
32 |
Bu |
1630 |
1255 |
0.770 |
273 |
2642 |
|
|
33 |
Bu |
3048 |
1186 |
0.389 |
273 |
2643 |
|
|
34 |
Bu |
3062 |
963 |
0.315 |
273 |
2644 |
|
|
35 |
Bu |
3068 |
590 |
0.192 |
273 |
2645 |
|
|
36 |
Bu |
3157 |
170 |
0.054 |
273 |
2646 |
C4H9N |
Pyrrolidine |
1 |
A' |
294 |
3356 |
11.404 |
274 |
2647 |
|
|
2 |
A' |
561 |
2975 |
5.307 |
274 |
2648 |
|
|
3 |
A' |
739 |
2927 |
3.962 |
274 |
2649 |
|
|
4 |
A' |
845 |
2889 |
3.421 |
274 |
2650 |
|
|
5 |
A' |
886 |
2824 |
3.186 |
274 |
2651 |
|
|
6 |
A' |
921 |
1484 |
1.611 |
274 |
2652 |
|
|
7 |
A' |
977 |
1447 |
1.482 |
274 |
2653 |
|
|
8 |
A' |
1041 |
1292 |
1.241 |
274 |
2654 |
|
|
9 |
A' |
1180 |
1273 |
1.079 |
274 |
2655 |
|
|
10 |
A' |
1201 |
1228 |
1.023 |
274 |
2656 |
|
|
11 |
A' |
1268 |
1181 |
0.931 |
274 |
2657 |
|
|
12 |
A' |
1340 |
974 |
0.727 |
274 |
2658 |
|
|
13 |
A' |
1452 |
920 |
0.634 |
274 |
2659 |
|
|
14 |
A' |
1476 |
901 |
0.610 |
274 |
2660 |
|
|
15 |
A' |
2843 |
871 |
0.306 |
274 |
2661 |
|
|
16 |
A' |
2992 |
832 |
0.278 |
274 |
2662 |
|
|
17 |
A' |
3005 |
789 |
0.263 |
274 |
2663 |
|
|
18 |
A' |
3044 |
579 |
0.190 |
274 |
2664 |
|
|
19 |
A' |
3448 |
299 |
0.087 |
274 |
2665 |
|
|
20 |
A" |
93 |
2967 |
31.982 |
274 |
2666 |
|
|
21 |
A" |
618 |
2916 |
4.715 |
274 |
2667 |
|
|
22 |
A" |
846 |
2879 |
3.401 |
274 |
2668 |
|
|
23 |
A" |
914 |
2818 |
3.083 |
274 |
2669 |
|
|
24 |
A" |
1072 |
1459 |
1.361 |
274 |
2670 |
|
|
25 |
A" |
1098 |
1412 |
1.286 |
274 |
2671 |
|
|
26 |
A" |
1159 |
1341 |
1.157 |
274 |
2672 |
|
|
27 |
A" |
1202 |
1268 |
1.055 |
274 |
2673 |
|
|
28 |
A" |
1260 |
1211 |
0.961 |
274 |
2674 |
|
|
29 |
A" |
1278 |
1203 |
0.941 |
274 |
2675 |
|
|
30 |
A" |
1386 |
1171 |
0.845 |
274 |
2676 |
|
|
31 |
A" |
1435 |
1099 |
0.766 |
274 |
2677 |
|
|
32 |
A" |
1457 |
1023 |
0.702 |
274 |
2678 |
|
|
33 |
A" |
2840 |
883 |
0.311 |
274 |
2679 |
|
|
34 |
A" |
2985 |
848 |
0.284 |
274 |
2680 |
|
|
35 |
A" |
2997 |
600 |
0.200 |
274 |
2681 |
|
|
36 |
A" |
3023 |
65 |
0.022 |
274 |
2682 |
C4H9N |
Cyclobutylamine |
1 |
A' |
147 |
3345 |
22.716 |
275 |
2683 |
|
|
2 |
A' |
390 |
2975 |
7.620 |
275 |
2684 |
|
|
3 |
A' |
646 |
2950 |
4.564 |
275 |
2685 |
|
|
4 |
A' |
786 |
2918 |
3.714 |
275 |
2686 |
|
|
5 |
A' |
823 |
2905 |
3.528 |
275 |
2687 |
|
|
6 |
A' |
863 |
2887 |
3.346 |
275 |
2688 |
|
|
7 |
A' |
942 |
1614 |
1.713 |
275 |
2689 |
|
|
8 |
A' |
1055 |
1467 |
1.390 |
275 |
2690 |
|
|
9 |
A' |
1119 |
1443 |
1.290 |
275 |
2691 |
|
|
10 |
A' |
1199 |
1390 |
1.159 |
275 |
2692 |
|
|
11 |
A' |
1237 |
1291 |
1.044 |
275 |
2693 |
|
|
12 |
A' |
1327 |
1237 |
0.932 |
275 |
2694 |
|
|
13 |
A' |
1423 |
1137 |
0.799 |
275 |
2695 |
|
|
14 |
A' |
1445 |
1120 |
0.775 |
275 |
2696 |
|
|
15 |
A' |
1596 |
1050 |
0.658 |
275 |
2697 |
|
|
16 |
A' |
2883 |
965 |
0.335 |
275 |
2698 |
|
|
17 |
A' |
2980 |
788 |
0.264 |
275 |
2699 |
|
|
18 |
A' |
2996 |
752 |
0.251 |
275 |
2700 |
|
|
19 |
A' |
3024 |
606 |
0.200 |
275 |
2701 |
|
|
20 |
A' |
3054 |
448 |
0.147 |
275 |
2702 |
|
|
21 |
A' |
3398 |
174 |
0.051 |
275 |
2703 |
|
|
22 |
A" |
251 |
3411 |
13.605 |
275 |
2704 |
|
|
23 |
A" |
382 |
2970 |
7.767 |
275 |
2705 |
|
|
24 |
A" |
742 |
2957 |
3.988 |
275 |
2706 |
|
|
25 |
A" |
895 |
1452 |
1.622 |
275 |
2707 |
|
|
26 |
A" |
926 |
1213 |
1.310 |
275 |
2708 |
|
|
27 |
A" |
996 |
1185 |
1.190 |
275 |
2709 |
|
|
28 |
A" |
1128 |
1168 |
1.035 |
275 |
2710 |
|
|
29 |
A" |
1180 |
1036 |
0.878 |
275 |
2711 |
|
|
30 |
A" |
1214 |
|
|
275 |
2712 |
|
|
31 |
A" |
1225 |
925 |
0.755 |
275 |
2713 |
|
|
32 |
A" |
1293 |
912 |
0.705 |
275 |
2714 |
|
|
33 |
A" |
1412 |
883 |
0.625 |
275 |
2715 |
|
|
34 |
A" |
2977 |
788 |
0.265 |
275 |
2716 |
|
|
35 |
A" |
3031 |
354 |
0.117 |
275 |
2717 |
|
|
36 |
A" |
3477 |
240 |
0.069 |
275 |
2718 |
C4H8O2 |
1,4-Dioxane |
1 |
Ag |
402 |
2968 |
7.375 |
276 |
2719 |
|
|
2 |
Ag |
424 |
2856 |
6.737 |
276 |
2720 |
|
|
3 |
Ag |
825 |
1444 |
1.749 |
276 |
2721 |
|
|
4 |
Ag |
994 |
1397 |
1.405 |
276 |
2722 |
|
|
5 |
Ag |
1101 |
1305 |
1.185 |
276 |
2723 |
|
|
6 |
Ag |
1283 |
1128 |
0.879 |
276 |
2724 |
|
|
7 |
Ag |
1358 |
1015 |
0.747 |
276 |
2725 |
|
|
8 |
Ag |
1431 |
837 |
0.585 |
276 |
2726 |
|
|
9 |
Ag |
2894 |
435 |
0.150 |
276 |
2727 |
|
|
10 |
Ag |
3013 |
424 |
0.141 |
276 |
2728 |
|
|
11 |
Au |
245 |
2970 |
12.126 |
276 |
2729 |
|
|
12 |
Au |
869 |
2863 |
3.293 |
276 |
2730 |
|
|
13 |
Au |
1066 |
1449 |
1.360 |
276 |
2731 |
|
|
14 |
Au |
1100 |
1369 |
1.245 |
276 |
2732 |
|
|
15 |
Au |
1235 |
1256 |
1.017 |
276 |
2733 |
|
|
16 |
Au |
1332 |
1136 |
0.853 |
276 |
2734 |
|
|
17 |
Au |
1422 |
1086 |
0.764 |
276 |
2735 |
|
|
18 |
Au |
2887 |
881 |
0.305 |
276 |
2736 |
|
|
19 |
Au |
3012 |
288 |
0.096 |
276 |
2737 |
|
|
20 |
Bg |
473 |
2968 |
6.272 |
276 |
2738 |
|
|
21 |
Bg |
832 |
2856 |
3.434 |
276 |
2739 |
|
|
22 |
Bg |
1092 |
1459 |
1.336 |
276 |
2740 |
|
|
23 |
Bg |
1194 |
1335 |
1.118 |
276 |
2741 |
|
|
24 |
Bg |
1306 |
1217 |
0.932 |
276 |
2742 |
|
|
25 |
Bg |
1422 |
1110 |
0.781 |
276 |
2743 |
|
|
26 |
Bg |
2900 |
853 |
0.294 |
276 |
2744 |
|
|
27 |
Bg |
3012 |
490 |
0.163 |
276 |
2745 |
|
|
28 |
Bu |
257 |
2970 |
11.557 |
276 |
2746 |
|
|
29 |
Bu |
586 |
2863 |
4.888 |
276 |
2747 |
|
|
30 |
Bu |
863 |
1457 |
1.688 |
276 |
2748 |
|
|
31 |
Bu |
1031 |
1378 |
1.337 |
276 |
2749 |
|
|
32 |
Bu |
1270 |
1291 |
1.016 |
276 |
2750 |
|
|
33 |
Bu |
1349 |
1052 |
0.780 |
276 |
2751 |
|
|
34 |
Bu |
1426 |
889 |
0.623 |
276 |
2752 |
|
|
35 |
Bu |
2903 |
610 |
0.210 |
276 |
2753 |
|
|
36 |
Bu |
3012 |
274 |
0.091 |
276 |
2754 |
C6H5CHO |
benzaldehyde |
1 |
A' |
3122 |
3099 |
0.993 |
277 |
2755 |
|
|
2 |
A' |
3116 |
3081 |
0.989 |
277 |
2756 |
|
|
3 |
A' |
3107 |
3081 |
0.992 |
277 |
2757 |
|
|
4 |
A' |
3095 |
3043 |
0.983 |
277 |
2758 |
|
|
5 |
A' |
3082 |
3034 |
0.984 |
277 |
2759 |
|
|
6 |
A' |
2781 |
2806 |
1.009 |
277 |
2760 |
|
|
7 |
A' |
1716 |
1728 |
1.007 |
277 |
2761 |
|
|
8 |
A' |
1593 |
1614 |
1.013 |
277 |
2762 |
|
|
9 |
A' |
1576 |
1603 |
1.017 |
277 |
2763 |
|
|
10 |
A' |
1472 |
1492 |
1.014 |
277 |
2764 |
|
|
11 |
A' |
1440 |
1460 |
1.014 |
277 |
2765 |
|
|
12 |
A' |
1373 |
1387 |
1.010 |
277 |
2766 |
|
|
13 |
A' |
1348 |
1314 |
0.974 |
277 |
2767 |
|
|
14 |
A' |
1293 |
1276 |
0.987 |
277 |
2768 |
|
|
15 |
A' |
1189 |
1202 |
1.011 |
277 |
2769 |
|
|
16 |
A' |
1150 |
1168 |
1.016 |
277 |
2770 |
|
|
17 |
A' |
1148 |
1158 |
1.009 |
277 |
2771 |
|
|
18 |
A' |
1071 |
1074 |
1.003 |
277 |
2772 |
|
|
19 |
A' |
1017 |
1026 |
1.009 |
277 |
2773 |
|
|
20 |
A' |
962 |
996 |
1.035 |
277 |
2774 |
|
|
21 |
A' |
811 |
825 |
1.018 |
277 |
2775 |
|
|
22 |
A' |
640 |
649 |
1.014 |
277 |
2776 |
|
|
23 |
A' |
604 |
617 |
1.022 |
277 |
2777 |
|
|
24 |
A' |
428 |
437 |
1.020 |
277 |
2778 |
|
|
25 |
A' |
209 |
224 |
1.073 |
277 |
2779 |
|
|
26 |
A" |
993 |
1003 |
1.011 |
277 |
2780 |
|
|
27 |
A" |
980 |
996 |
1.016 |
277 |
2781 |
|
|
28 |
A" |
967 |
978 |
1.012 |
277 |
2782 |
|
|
29 |
A" |
912 |
918 |
1.006 |
277 |
2783 |
|
|
30 |
A" |
838 |
852 |
1.017 |
277 |
2784 |
|
|
31 |
A" |
734 |
740 |
1.008 |
277 |
2785 |
|
|
32 |
A" |
673 |
688 |
1.023 |
277 |
2786 |
|
|
33 |
A" |
444 |
450 |
1.013 |
277 |
2787 |
|
|
34 |
A" |
398 |
400 |
1.004 |
277 |
2788 |
|
|
35 |
A" |
227 |
217 |
0.954 |
277 |
2789 |
|
|
36 |
A" |
113 |
111 |
0.983 |
277 |
2790 |
C5H10 |
2-Butene, 2-methyl- |
1 |
A' |
290 |
3024 |
10.430 |
278 |
2791 |
|
|
2 |
A' |
370 |
2972 |
8.027 |
278 |
2792 |
|
|
3 |
A' |
512 |
2972 |
5.805 |
278 |
2793 |
|
|
4 |
A' |
760 |
2972 |
3.911 |
278 |
2794 |
|
|
5 |
A' |
926 |
2931 |
3.164 |
278 |
2795 |
|
|
6 |
A' |
939 |
2908 |
3.098 |
278 |
2796 |
|
|
7 |
A' |
1034 |
2908 |
2.812 |
278 |
2797 |
|
|
8 |
A' |
1100 |
1681 |
1.528 |
278 |
2798 |
|
|
9 |
A' |
1202 |
1471 |
1.224 |
278 |
2799 |
|
|
10 |
A' |
1321 |
1453 |
1.100 |
278 |
2800 |
|
|
11 |
A' |
1355 |
1453 |
1.073 |
278 |
2801 |
|
|
25 |
A" |
120 |
2972 |
24.827 |
278 |
2802 |
|
|
26 |
A" |
145 |
2972 |
20.490 |
278 |
2803 |
|
|
27 |
A" |
181 |
2972 |
16.376 |
278 |
2804 |
|
|
28 |
A" |
256 |
1471 |
5.745 |
278 |
2805 |
|
|
29 |
A" |
438 |
1471 |
3.358 |
278 |
2806 |
|
|
30 |
A" |
797 |
1453 |
1.822 |
278 |
2807 |
C2H5SC2H5 |
Diethyl sulfide |
1 |
A1 |
129 |
2967 |
22.996 |
279 |
2808 |
|
|
2 |
A1 |
320 |
2874 |
8.985 |
279 |
2809 |
|
|
3 |
A1 |
676 |
2853 |
4.222 |
279 |
2810 |
|
|
4 |
A1 |
971 |
1450 |
1.493 |
279 |
2811 |
|
|
5 |
A1 |
1065 |
1427 |
1.340 |
279 |
2812 |
|
|
6 |
A1 |
1253 |
1380 |
1.102 |
279 |
2813 |
|
|
7 |
A1 |
1358 |
1270 |
0.935 |
279 |
2814 |
|
|
8 |
A1 |
1435 |
1047 |
0.730 |
279 |
2815 |
|
|
9 |
A1 |
1453 |
974 |
0.670 |
279 |
2816 |
|
|
10 |
A1 |
2953 |
657 |
0.223 |
279 |
2817 |
|
|
11 |
A1 |
2969 |
334 |
0.113 |
279 |
2818 |
|
|
12 |
A1 |
3037 |
|
|
279 |
2819 |
|
|
13 |
A2 |
81 |
2967 |
36.540 |
279 |
2820 |
|
|
14 |
A2 |
230 |
2930 |
12.712 |
279 |
2821 |
|
|
15 |
A2 |
756 |
|
|
279 |
2822 |
|
|
16 |
A2 |
991 |
|
|
279 |
2823 |
|
|
17 |
A2 |
1215 |
|
|
279 |
2824 |
|
|
18 |
A2 |
1440 |
|
|
279 |
2825 |
|
|
19 |
A2 |
2998 |
|
|
279 |
2826 |
|
|
20 |
A2 |
3044 |
|
|
279 |
2827 |
|
|
21 |
B1 |
53 |
2967 |
56.281 |
279 |
2828 |
|
|
22 |
B1 |
226 |
2930 |
12.975 |
279 |
2829 |
|
|
23 |
B1 |
773 |
1450 |
1.875 |
279 |
2830 |
|
|
24 |
B1 |
1012 |
1242 |
1.227 |
279 |
2831 |
|
|
25 |
B1 |
1219 |
|
|
279 |
2832 |
|
|
26 |
B1 |
1440 |
780 |
0.542 |
279 |
2833 |
|
|
27 |
B1 |
2990 |
|
|
279 |
2834 |
|
|
28 |
B1 |
3043 |
|
|
279 |
2835 |
|
|
29 |
B2 |
320 |
2967 |
9.277 |
279 |
2836 |
|
|
30 |
B2 |
677 |
2874 |
4.244 |
279 |
2837 |
|
|
31 |
B2 |
966 |
2853 |
2.952 |
279 |
2838 |
|
|
32 |
B2 |
1017 |
1450 |
1.426 |
279 |
2839 |
|
|
33 |
B2 |
1218 |
1427 |
1.172 |
279 |
2840 |
|
|
34 |
B2 |
1357 |
1380 |
1.017 |
279 |
2841 |
|
|
35 |
B2 |
1429 |
1259 |
0.881 |
279 |
2842 |
|
|
36 |
B2 |
1452 |
1017 |
0.700 |
279 |
2843 |
|
|
37 |
B2 |
2955 |
974 |
0.330 |
279 |
2844 |
|
|
38 |
B2 |
2968 |
693 |
0.233 |
279 |
2845 |
|
|
39 |
B2 |
3037 |
345 |
0.114 |
279 |
2846 |
CH3C(SCH3)HCH3 |
Propane, 2-(methylthio)- |
1 |
A |
72 |
2971 |
41.273 |
280 |
2847 |
|
|
2 |
A |
158 |
2971 |
18.825 |
280 |
2848 |
|
|
3 |
A |
196 |
2971 |
15.196 |
280 |
2849 |
|
|
4 |
A |
212 |
2971 |
14.002 |
280 |
2850 |
|
|
5 |
A |
239 |
2971 |
12.453 |
280 |
2851 |
|
|
6 |
A |
314 |
2971 |
9.463 |
280 |
2852 |
|
|
7 |
A |
333 |
2918 |
8.755 |
280 |
2853 |
|
|
8 |
A |
407 |
2899 |
7.125 |
280 |
2854 |
|
|
9 |
A |
618 |
2867 |
4.635 |
280 |
2855 |
|
|
10 |
A |
711 |
2867 |
4.033 |
280 |
2856 |
|
|
11 |
A |
867 |
1448 |
1.671 |
280 |
2857 |
|
|
12 |
A |
898 |
1448 |
1.613 |
280 |
2858 |
|
|
13 |
A |
925 |
1448 |
1.566 |
280 |
2859 |
|
|
14 |
A |
931 |
1448 |
1.555 |
280 |
2860 |
|
|
15 |
A |
940 |
1448 |
1.541 |
280 |
2861 |
|
|
16 |
A |
1035 |
1448 |
1.400 |
280 |
2862 |
|
|
17 |
A |
1102 |
1386 |
1.258 |
280 |
2863 |
|
|
18 |
A |
1139 |
1364 |
1.198 |
280 |
2864 |
|
|
19 |
A |
1221 |
1339 |
1.097 |
280 |
2865 |
|
|
20 |
A |
1291 |
1315 |
1.019 |
280 |
2866 |
|
|
21 |
A |
1298 |
1244 |
0.959 |
280 |
2867 |
|
|
22 |
A |
1343 |
1154 |
0.859 |
280 |
2868 |
|
|
23 |
A |
1362 |
1110 |
0.815 |
280 |
2869 |
|
|
24 |
A |
1412 |
1058 |
0.749 |
280 |
2870 |
|
|
25 |
A |
1427 |
|
|
280 |
2871 |
|
|
26 |
A |
1433 |
954 |
0.666 |
280 |
2872 |
|
|
27 |
A |
1435 |
|
|
280 |
2873 |
|
|
28 |
A |
1445 |
924 |
0.640 |
280 |
2874 |
|
|
29 |
A |
1455 |
882 |
0.606 |
280 |
2875 |
|
|
30 |
A |
2946 |
724 |
0.246 |
280 |
2876 |
|
|
31 |
A |
2954 |
632 |
0.214 |
280 |
2877 |
|
|
32 |
A |
2962 |
427 |
0.144 |
280 |
2878 |
|
|
33 |
A |
2963 |
336 |
0.113 |
280 |
2879 |
|
|
34 |
A |
3019 |
|
|
280 |
2880 |
|
|
35 |
A |
3028 |
|
|
280 |
2881 |
|
|
36 |
A |
3037 |
|
|
280 |
2882 |
|
|
37 |
A |
3040 |
215 |
0.071 |
280 |
2883 |
|
|
38 |
A |
3045 |
|
|
280 |
2884 |
|
|
39 |
A |
3062 |
|
|
280 |
2885 |
C6H10 |
1,5-Hexadiene |
1 |
Ag |
254 |
3082 |
12.114 |
281 |
2886 |
|
|
2 |
Ag |
558 |
3005 |
5.387 |
281 |
2887 |
|
|
3 |
Ag |
892 |
2984 |
3.345 |
281 |
2888 |
|
|
4 |
Ag |
974 |
2846 |
2.923 |
281 |
2889 |
|
|
5 |
Ag |
1114 |
1642 |
1.473 |
281 |
2890 |
|
|
6 |
Ag |
1292 |
1442 |
1.116 |
281 |
2891 |
|
|
7 |
Ag |
1353 |
1416 |
1.046 |
281 |
2892 |
|
|
8 |
Ag |
1398 |
1334 |
0.954 |
281 |
2893 |
|
|
9 |
Ag |
1423 |
1280 |
0.900 |
281 |
2894 |
|
|
10 |
Ag |
1659 |
1187 |
0.716 |
281 |
2895 |
|
|
11 |
Ag |
2927 |
1025 |
0.350 |
281 |
2896 |
|
|
12 |
Ag |
3050 |
924 |
0.303 |
281 |
2897 |
|
|
13 |
Ag |
3071 |
402 |
0.131 |
281 |
2898 |
|
|
14 |
Ag |
3148 |
351 |
0.111 |
281 |
2899 |
|
|
15 |
Au |
73 |
2905 |
39.804 |
281 |
2900 |
|
|
16 |
Au |
154 |
1212 |
7.884 |
281 |
2901 |
|
|
17 |
Au |
547 |
995 |
1.819 |
281 |
2902 |
|
|
18 |
Au |
762 |
912 |
1.196 |
281 |
2903 |
|
|
19 |
Au |
900 |
774 |
0.860 |
281 |
2904 |
|
|
20 |
Au |
1000 |
649 |
0.649 |
281 |
2905 |
|
|
23 |
Bg |
187 |
2911 |
15.565 |
281 |
2906 |
|
|
24 |
Bg |
547 |
1280 |
2.338 |
281 |
2907 |
|
|
26 |
Bg |
999 |
996 |
0.997 |
281 |
2908 |
|
|
27 |
Bg |
1012 |
913 |
0.902 |
281 |
2909 |
|
|
28 |
Bg |
1261 |
614 |
0.487 |
281 |
2910 |
|
|
29 |
Bg |
2943 |
264 |
0.090 |
281 |
2911 |
|
|
30 |
Bu |
168 |
3080 |
18.340 |
281 |
2912 |
|
|
31 |
Bu |
498 |
2995 |
6.008 |
281 |
2913 |
|
|
32 |
Bu |
903 |
2975 |
3.293 |
281 |
2914 |
|
|
33 |
Bu |
1033 |
2835 |
2.744 |
281 |
2915 |
|
|
34 |
Bu |
1259 |
1642 |
1.304 |
281 |
2916 |
|
|
35 |
Bu |
1290 |
1445 |
1.120 |
281 |
2917 |
|
|
36 |
Bu |
1399 |
1419 |
1.014 |
281 |
2918 |
|
|
38 |
Bu |
1651 |
1246 |
0.755 |
281 |
2919 |
|
|
41 |
Bu |
3071 |
552 |
0.180 |
281 |
2920 |
C6H10 |
2-Hexyne |
1 |
A' |
98 |
2972 |
30.375 |
282 |
2921 |
|
|
2 |
A' |
270 |
2955 |
10.928 |
282 |
2922 |
|
|
3 |
A' |
329 |
2931 |
8.908 |
282 |
2923 |
|
|
4 |
A' |
475 |
2919 |
6.143 |
282 |
2924 |
|
|
5 |
A' |
754 |
2903 |
3.850 |
282 |
2925 |
|
|
6 |
A' |
873 |
2880 |
3.299 |
282 |
2926 |
|
|
7 |
A' |
1009 |
2188 |
2.167 |
282 |
2927 |
|
|
8 |
A' |
1024 |
1462 |
1.428 |
282 |
2928 |
|
|
9 |
A' |
1075 |
1447 |
1.346 |
282 |
2929 |
|
|
10 |
A' |
1151 |
1435 |
1.247 |
282 |
2930 |
|
|
11 |
A' |
1258 |
1450 |
1.153 |
282 |
2931 |
|
|
12 |
A' |
1325 |
1390 |
1.049 |
282 |
2932 |
|
|
13 |
A' |
1360 |
1382 |
1.016 |
282 |
2933 |
|
|
14 |
A' |
1362 |
1348 |
0.990 |
282 |
2934 |
|
|
15 |
A' |
1419 |
1282 |
0.904 |
282 |
2935 |
|
|
16 |
A' |
1426 |
1135 |
0.796 |
282 |
2936 |
|
|
17 |
A' |
1441 |
1097 |
0.761 |
282 |
2937 |
|
|
18 |
A' |
1455 |
1036 |
0.712 |
282 |
2938 |
|
|
19 |
A' |
2282 |
1032 |
0.452 |
282 |
2939 |
|
|
20 |
A' |
2930 |
893 |
0.305 |
282 |
2940 |
|
|
21 |
A' |
2952 |
739 |
0.250 |
282 |
2941 |
|
|
22 |
A' |
2957 |
478 |
0.162 |
282 |
2942 |
|
|
23 |
A' |
2967 |
359 |
0.121 |
282 |
2943 |
|
|
24 |
A' |
3012 |
272 |
0.090 |
282 |
2944 |
|
|
25 |
A' |
3033 |
115 |
0.038 |
282 |
2945 |
|
|
26 |
A" |
31 |
2972 |
96.212 |
282 |
2946 |
|
|
27 |
A" |
81 |
2995 |
36.895 |
282 |
2947 |
|
|
28 |
A" |
210 |
2942 |
14.013 |
282 |
2948 |
|
|
29 |
A" |
237 |
2937 |
12.390 |
282 |
2949 |
|
|
30 |
A" |
376 |
1453 |
3.868 |
282 |
2950 |
|
|
31 |
A" |
719 |
1450 |
2.017 |
282 |
2951 |
|
|
32 |
A" |
842 |
1394 |
1.655 |
282 |
2952 |
|
|
33 |
A" |
1009 |
1231 |
1.220 |
282 |
2953 |
|
|
34 |
A" |
1078 |
1091 |
1.012 |
282 |
2954 |
|
|
35 |
A" |
1211 |
1032 |
0.852 |
282 |
2955 |
|
|
36 |
A" |
1276 |
866 |
0.679 |
282 |
2956 |
|
|
37 |
A" |
1426 |
740 |
0.519 |
282 |
2957 |
|
|
38 |
A" |
1449 |
392 |
0.271 |
282 |
2958 |
|
|
39 |
A" |
2954 |
238 |
0.081 |
282 |
2959 |
|
|
40 |
A" |
2998 |
220 |
0.073 |
282 |
2960 |
|
|
41 |
A" |
3011 |
88 |
0.029 |
282 |
2961 |
|
|
42 |
A" |
3026 |
|
|
282 |
2962 |
C8H8 |
cubane |
1 |
A1g |
3052 |
2995 |
0.981 |
283 |
2963 |
|
|
2 |
A1g |
1005 |
1002 |
0.997 |
283 |
2964 |
|
|
3 |
A2u |
3015 |
2978 |
0.988 |
283 |
2965 |
|
|
4 |
A2u |
1003 |
839 |
0.837 |
283 |
2966 |
|
|
5 |
Eg |
1078 |
1083 |
1.005 |
283 |
2967 |
|
|
6 |
Eg |
897 |
912 |
1.017 |
283 |
2968 |
|
|
7 |
Eu |
1134 |
1151 |
1.015 |
283 |
2969 |
|
|
8 |
Eu |
594 |
617 |
1.038 |
283 |
2970 |
|
|
9 |
T1g |
1118 |
1130 |
1.010 |
283 |
2971 |
|
|
10 |
T1u |
3033 |
2978 |
0.982 |
283 |
2972 |
|
|
11 |
T1u |
1224 |
1230 |
1.005 |
283 |
2973 |
|
|
12 |
T1u |
851 |
853 |
1.003 |
283 |
2974 |
|
|
13 |
T2g |
3026 |
2970 |
0.982 |
283 |
2975 |
|
|
14 |
T2g |
1173 |
1182 |
1.007 |
283 |
2976 |
|
|
15 |
T2g |
818 |
821 |
1.003 |
283 |
2977 |
|
|
16 |
T2g |
652 |
665 |
1.020 |
283 |
2978 |
|
|
17 |
T2u |
1028 |
1036 |
1.008 |
283 |
2979 |
|
|
18 |
T2u |
818 |
829 |
1.013 |
283 |
2980 |
C5H10S |
2H-Thiopyran, tetrahydro- |
1 |
A' |
170 |
2948 |
17.366 |
284 |
2981 |
|
|
2 |
A' |
331 |
2929 |
8.861 |
284 |
2982 |
|
|
3 |
A' |
344 |
2929 |
8.503 |
284 |
2983 |
|
|
4 |
A' |
478 |
2904 |
6.075 |
284 |
2984 |
|
|
5 |
A' |
642 |
2878 |
4.485 |
284 |
2985 |
|
|
6 |
A' |
800 |
2849 |
3.561 |
284 |
2986 |
|
|
7 |
A' |
808 |
1451 |
1.795 |
284 |
2987 |
|
|
8 |
A' |
947 |
1440 |
1.520 |
284 |
2988 |
|
|
9 |
A' |
1000 |
1426 |
1.426 |
284 |
2989 |
|
|
10 |
A' |
1040 |
1348 |
1.296 |
284 |
2990 |
|
|
11 |
A' |
1196 |
1299 |
1.086 |
284 |
2991 |
|
|
12 |
A' |
1216 |
1237 |
1.017 |
284 |
2992 |
|
|
13 |
A' |
1284 |
1215 |
0.946 |
284 |
2993 |
|
|
14 |
A' |
1326 |
1061 |
0.800 |
284 |
2994 |
|
|
15 |
A' |
1410 |
965 |
0.685 |
284 |
2995 |
|
|
16 |
A' |
1424 |
897 |
0.630 |
284 |
2996 |
|
|
17 |
A' |
1437 |
826 |
0.575 |
284 |
2997 |
|
|
18 |
A' |
2932 |
813 |
0.277 |
284 |
2998 |
|
|
19 |
A' |
2942 |
656 |
0.223 |
284 |
2999 |
|
|
20 |
A' |
2947 |
504 |
0.171 |
284 |
3000 |
|
|
21 |
A' |
2985 |
359 |
0.120 |
284 |
3001 |
|
|
22 |
A' |
2996 |
344 |
0.115 |
284 |
3002 |
|
|
23 |
A' |
3020 |
194 |
0.064 |
284 |
3003 |
|
|
24 |
A" |
224 |
2948 |
13.186 |
284 |
3004 |
|
|
25 |
A" |
388 |
2929 |
7.546 |
284 |
3005 |
|
|
26 |
A" |
671 |
2892 |
4.311 |
284 |
3006 |
|
|
27 |
A" |
767 |
2878 |
3.754 |
284 |
3007 |
|
|
28 |
A" |
878 |
1433 |
1.632 |
284 |
3008 |
|
|
29 |
A" |
915 |
1405 |
1.536 |
284 |
3009 |
|
|
30 |
A" |
1052 |
1338 |
1.272 |
284 |
3010 |
|
|
31 |
A" |
1071 |
1313 |
1.226 |
284 |
3011 |
|
|
32 |
A" |
1117 |
1269 |
1.136 |
284 |
3012 |
|
|
33 |
A" |
1242 |
1259 |
1.014 |
284 |
3013 |
|
|
34 |
A" |
1245 |
1141 |
0.917 |
284 |
3014 |
|
|
35 |
A" |
1317 |
1090 |
0.827 |
284 |
3015 |
|
|
36 |
A" |
1329 |
1013 |
0.762 |
284 |
3016 |
|
|
37 |
A" |
1406 |
929 |
0.661 |
284 |
3017 |
|
|
38 |
A" |
1416 |
905 |
0.639 |
284 |
3018 |
|
|
39 |
A" |
2943 |
791 |
0.269 |
284 |
3019 |
|
|
40 |
A" |
2949 |
688 |
0.233 |
284 |
3020 |
|
|
41 |
A" |
2987 |
398 |
0.133 |
284 |
3021 |
|
|
42 |
A" |
3022 |
242 |
0.080 |
284 |
3022 |
C5H12 |
Pentane |
1 |
A1 |
170 |
2973 |
17.536 |
285 |
3023 |
|
|
2 |
A1 |
389 |
2892 |
7.438 |
285 |
3024 |
|
|
3 |
A1 |
849 |
2866 |
3.376 |
285 |
3025 |
|
|
4 |
A1 |
1029 |
2866 |
2.786 |
285 |
3026 |
|
|
5 |
A1 |
1127 |
1480 |
1.313 |
285 |
3027 |
|
|
6 |
A1 |
1315 |
1463 |
1.112 |
285 |
3028 |
|
|
7 |
A1 |
1358 |
1450 |
1.067 |
285 |
3029 |
|
|
8 |
A1 |
1432 |
1379 |
0.963 |
285 |
3030 |
|
|
9 |
A1 |
1445 |
1346 |
0.931 |
285 |
3031 |
|
|
10 |
A1 |
1462 |
1144 |
0.783 |
285 |
3032 |
|
|
11 |
A1 |
2926 |
1036 |
0.354 |
285 |
3033 |
|
|
12 |
A1 |
2946 |
867 |
0.294 |
285 |
3034 |
|
|
13 |
A1 |
2957 |
401 |
0.136 |
285 |
3035 |
|
|
14 |
A1 |
3029 |
179 |
0.059 |
285 |
3036 |
|
|
15 |
A2 |
112 |
2967 |
26.453 |
285 |
3037 |
|
|
16 |
A2 |
236 |
2908 |
12.316 |
285 |
3038 |
|
|
17 |
A2 |
741 |
1462 |
1.974 |
285 |
3039 |
|
|
18 |
A2 |
960 |
1346 |
1.402 |
285 |
3040 |
|
|
19 |
A2 |
1221 |
1269 |
1.039 |
285 |
3041 |
|
|
20 |
A2 |
1287 |
993 |
0.772 |
285 |
3042 |
|
|
21 |
A2 |
1447 |
766 |
0.529 |
285 |
3043 |
|
|
22 |
A2 |
2969 |
210 |
0.071 |
285 |
3044 |
|
|
23 |
A2 |
3022 |
131 |
0.043 |
285 |
3045 |
|
|
24 |
B1 |
112 |
2965 |
26.372 |
285 |
3046 |
|
|
25 |
B1 |
230 |
2930 |
12.736 |
285 |
3047 |
|
|
26 |
B1 |
711 |
2930 |
4.122 |
285 |
3048 |
|
|
27 |
B1 |
838 |
1469 |
1.754 |
285 |
3049 |
|
|
28 |
B1 |
1162 |
1303 |
1.121 |
285 |
3050 |
|
|
29 |
B1 |
1280 |
1170 |
0.914 |
285 |
3051 |
|
|
30 |
B1 |
1446 |
858 |
0.593 |
285 |
3052 |
|
|
31 |
B1 |
2949 |
727 |
0.247 |
285 |
3053 |
|
|
32 |
B1 |
2985 |
215 |
0.072 |
285 |
3054 |
|
|
33 |
B1 |
3023 |
88 |
0.029 |
285 |
3055 |
|
|
34 |
B2 |
381 |
2965 |
7.773 |
285 |
3056 |
|
|
35 |
B2 |
907 |
2879 |
3.174 |
285 |
3057 |
|
|
36 |
B2 |
1010 |
2866 |
2.838 |
285 |
3058 |
|
|
37 |
B2 |
1056 |
1476 |
1.398 |
285 |
3059 |
|
|
38 |
B2 |
1243 |
1456 |
1.172 |
285 |
3060 |
|
|
39 |
B2 |
1340 |
1389 |
1.037 |
285 |
3061 |
|
|
40 |
B2 |
1358 |
1379 |
1.015 |
285 |
3062 |
|
|
41 |
B2 |
1436 |
1269 |
0.884 |
285 |
3063 |
|
|
42 |
B2 |
1454 |
1073 |
0.738 |
285 |
3064 |
|
|
43 |
B2 |
2939 |
1024 |
0.348 |
285 |
3065 |
|
|
44 |
B2 |
2956 |
910 |
0.308 |
285 |
3066 |
|
|
45 |
B2 |
3029 |
406 |
0.134 |
285 |
3067 |
C5H12 |
Propane, 2,2-dimethyl- |
1 |
A1 |
720 |
2909 |
4.041 |
286 |
3068 |
|
|
2 |
A1 |
1380 |
1381 |
1.001 |
286 |
3069 |
|
|
3 |
A1 |
2960 |
733 |
0.248 |
286 |
3070 |
|
|
4 |
A2 |
247 |
198 |
0.801 |
286 |
3071 |
|
|
5 |
E |
327 |
2955 |
9.036 |
286 |
3072 |
|
|
6 |
E |
1054 |
1451 |
1.376 |
286 |
3073 |
|
|
7 |
E |
1441 |
999 |
0.693 |
286 |
3074 |
|
|
8 |
E |
3026 |
335 |
0.111 |
286 |
3075 |
|
|
9 |
T1 |
308 |
2975 |
9.644 |
286 |
3076 |
|
|
10 |
T1 |
929 |
1461 |
1.572 |
286 |
3077 |
|
|
11 |
T1 |
1433 |
932 |
0.650 |
286 |
3078 |
|
|
12 |
T1 |
3025 |
203 |
0.067 |
286 |
3079 |
|
|
13 |
T2 |
409 |
2959 |
7.239 |
286 |
3080 |
|
|
14 |
T2 |
912 |
2876 |
3.152 |
286 |
3081 |
|
|
15 |
T2 |
1234 |
1475 |
1.196 |
286 |
3082 |
|
|
16 |
T2 |
1341 |
1372 |
1.023 |
286 |
3083 |
|
|
17 |
T2 |
1471 |
1256 |
0.854 |
286 |
3084 |
|
|
18 |
T2 |
2953 |
925 |
0.313 |
286 |
3085 |
|
|
19 |
T2 |
3028 |
418 |
0.138 |
286 |
3086 |
C5H11N |
Piperidine |
1 |
A' |
238 |
3341 |
14.057 |
287 |
3087 |
|
|
2 |
A' |
380 |
2947 |
7.755 |
287 |
3088 |
|
|
3 |
A' |
420 |
2931 |
6.977 |
287 |
3089 |
|
|
4 |
A' |
523 |
2917 |
5.582 |
287 |
3090 |
|
|
5 |
A' |
727 |
2892 |
3.977 |
287 |
3091 |
|
|
6 |
A' |
808 |
2850 |
3.527 |
287 |
3092 |
|
|
7 |
A' |
839 |
2730 |
3.255 |
287 |
3093 |
|
|
8 |
A' |
888 |
1476 |
1.662 |
287 |
3094 |
|
|
9 |
A' |
1022 |
1452 |
1.421 |
287 |
3095 |
|
|
10 |
A' |
1034 |
1444 |
1.397 |
287 |
3096 |
|
|
11 |
A' |
1123 |
1386 |
1.234 |
287 |
3097 |
|
|
12 |
A' |
1243 |
1365 |
1.098 |
287 |
3098 |
|
|
13 |
A' |
1269 |
1346 |
1.060 |
287 |
3099 |
|
|
14 |
A' |
1326 |
1266 |
0.955 |
287 |
3100 |
|
|
15 |
A' |
1363 |
1164 |
0.854 |
287 |
3101 |
|
|
16 |
A' |
1429 |
1035 |
0.724 |
287 |
3102 |
|
|
17 |
A' |
1435 |
1006 |
0.701 |
287 |
3103 |
|
|
18 |
A' |
1448 |
906 |
0.626 |
287 |
3104 |
|
|
19 |
A' |
2813 |
853 |
0.303 |
287 |
3105 |
|
|
20 |
A' |
2935 |
822 |
0.280 |
287 |
3106 |
|
|
21 |
A' |
2954 |
743 |
0.252 |
287 |
3107 |
|
|
22 |
A' |
2988 |
546 |
0.183 |
287 |
3108 |
|
|
23 |
A' |
2991 |
432 |
0.144 |
287 |
3109 |
|
|
24 |
A' |
3002 |
404 |
0.135 |
287 |
3110 |
|
|
25 |
A' |
3448 |
246 |
0.071 |
287 |
3111 |
|
|
26 |
A" |
239 |
2940 |
12.322 |
287 |
3112 |
|
|
27 |
A" |
438 |
2902 |
6.628 |
287 |
3113 |
|
|
28 |
A" |
791 |
2850 |
3.604 |
287 |
3114 |
|
|
29 |
A" |
864 |
2803 |
3.243 |
287 |
3115 |
|
|
30 |
A" |
945 |
1468 |
1.554 |
287 |
3116 |
|
|
31 |
A" |
1041 |
1460 |
1.403 |
287 |
3117 |
|
|
32 |
A" |
1101 |
1436 |
1.305 |
287 |
3118 |
|
|
33 |
A" |
1127 |
1332 |
1.182 |
287 |
3119 |
|
|
34 |
A" |
1149 |
1318 |
1.147 |
287 |
3120 |
|
|
35 |
A" |
1250 |
1285 |
1.028 |
287 |
3121 |
|
|
36 |
A" |
1293 |
1258 |
0.973 |
287 |
3122 |
|
|
37 |
A" |
1309 |
1191 |
0.910 |
287 |
3123 |
|
|
38 |
A" |
1323 |
1146 |
0.867 |
287 |
3124 |
|
|
39 |
A" |
1419 |
1115 |
0.786 |
287 |
3125 |
|
|
40 |
A" |
1432 |
1052 |
0.735 |
287 |
3126 |
|
|
41 |
A" |
1437 |
964 |
0.671 |
287 |
3127 |
|
|
42 |
A" |
2808 |
874 |
0.311 |
287 |
3128 |
|
|
43 |
A" |
2954 |
810 |
0.274 |
287 |
3129 |
|
|
44 |
A" |
2989 |
445 |
0.149 |
287 |
3130 |
|
|
45 |
A" |
2998 |
254 |
0.085 |
287 |
3131 |
C6H12 |
Cyclohexane |
1 |
A1g |
366 |
2930 |
8.007 |
288 |
3132 |
|
|
2 |
A1g |
792 |
2852 |
3.603 |
288 |
3133 |
|
|
3 |
A1g |
1137 |
1465 |
1.288 |
288 |
3134 |
|
|
4 |
A1g |
1452 |
1157 |
0.797 |
288 |
3135 |
|
|
5 |
A1g |
2929 |
802 |
0.274 |
288 |
3136 |
|
|
6 |
A1g |
2985 |
383 |
0.128 |
288 |
3137 |
|
|
7 |
A1u |
1077 |
1383 |
1.285 |
288 |
3138 |
|
|
8 |
A1u |
1085 |
1157 |
1.066 |
288 |
3139 |
|
|
9 |
A1u |
1315 |
1057 |
0.804 |
288 |
3140 |
|
|
10 |
A2g |
1033 |
1437 |
1.391 |
288 |
3141 |
|
|
11 |
A2g |
1296 |
1090 |
0.841 |
288 |
3142 |
|
|
12 |
A2u |
498 |
2915 |
5.852 |
288 |
3143 |
|
|
13 |
A2u |
1009 |
2860 |
2.834 |
288 |
3144 |
|
|
14 |
A2u |
1438 |
1437 |
0.999 |
288 |
3145 |
|
|
15 |
A2u |
2939 |
1030 |
0.351 |
288 |
3146 |
|
|
16 |
A2u |
2991 |
523 |
0.175 |
288 |
3147 |
|
|
17 |
Eg |
411 |
2930 |
7.124 |
288 |
3148 |
|
|
18 |
Eg |
763 |
2897 |
3.797 |
288 |
3149 |
|
|
19 |
Eg |
1015 |
1443 |
1.421 |
288 |
3150 |
|
|
20 |
Eg |
1249 |
1347 |
1.079 |
288 |
3151 |
|
|
21 |
Eg |
1321 |
1266 |
0.958 |
288 |
3152 |
|
|
22 |
Eg |
1427 |
1027 |
0.720 |
288 |
3153 |
|
|
23 |
Eg |
2936 |
785 |
0.267 |
288 |
3154 |
|
|
24 |
Eg |
2985 |
426 |
0.143 |
288 |
3155 |
|
|
25 |
Eu |
221 |
2933 |
13.278 |
288 |
3156 |
|
|
26 |
Eu |
849 |
2863 |
3.370 |
288 |
3157 |
|
|
27 |
Eu |
882 |
1457 |
1.652 |
288 |
3158 |
|
|
28 |
Eu |
1240 |
1355 |
1.093 |
288 |
3159 |
|
|
29 |
Eu |
1332 |
1261 |
0.947 |
288 |
3160 |
|
|
30 |
Eu |
1431 |
907 |
0.634 |
288 |
3161 |
|
|
31 |
Eu |
2929 |
863 |
0.295 |
288 |
3162 |
|
|
32 |
Eu |
2982 |
248 |
0.083 |
288 |
3163 |
C5H12S |
Propane, 2-methyl-2-(methylthio)- |
1 |
A' |
212 |
2967 |
13.985 |
289 |
3164 |
|
|
2 |
A' |
263 |
2967 |
11.283 |
289 |
3165 |
|
|
3 |
A' |
308 |
2967 |
9.634 |
289 |
3166 |
|
|
4 |
A' |
349 |
2967 |
8.512 |
289 |
3167 |
|
|
5 |
A' |
409 |
2924 |
7.144 |
289 |
3168 |
|
|
6 |
A' |
565 |
2875 |
5.086 |
289 |
3169 |
|
|
7 |
A' |
709 |
2875 |
4.053 |
289 |
3170 |
|
|
8 |
A' |
794 |
1460 |
1.838 |
289 |
3171 |
|
|
9 |
A' |
914 |
1460 |
1.597 |
289 |
3172 |
|
|
10 |
A' |
932 |
1445 |
1.550 |
289 |
3173 |
|
|
11 |
A' |
1010 |
1435 |
1.421 |
289 |
3174 |
|
|
12 |
A' |
1148 |
1391 |
1.212 |
289 |
3175 |
|
|
13 |
A' |
1199 |
1364 |
1.137 |
289 |
3176 |
|
|
14 |
A' |
1297 |
1318 |
1.016 |
289 |
3177 |
|
|
15 |
A' |
1344 |
1210 |
0.900 |
289 |
3178 |
|
|
16 |
A' |
1374 |
1161 |
0.845 |
289 |
3179 |
|
|
17 |
A' |
1427 |
1026 |
0.719 |
289 |
3180 |
|
|
18 |
A' |
1435 |
|
|
289 |
3181 |
|
|
19 |
A' |
1450 |
932 |
0.643 |
289 |
3182 |
|
|
20 |
A' |
1465 |
815 |
0.556 |
289 |
3183 |
|
|
21 |
A' |
2954 |
722 |
0.244 |
289 |
3184 |
|
|
22 |
A' |
2961 |
588 |
0.199 |
289 |
3185 |
|
|
23 |
A' |
2966 |
419 |
0.141 |
289 |
3186 |
|
|
24 |
A' |
3020 |
367 |
0.122 |
289 |
3187 |
|
|
25 |
A' |
3030 |
322 |
0.106 |
289 |
3188 |
|
|
26 |
A' |
3045 |
|
|
289 |
3189 |
|
|
27 |
A' |
3059 |
226 |
0.074 |
289 |
3190 |
|
|
28 |
A" |
49 |
2967 |
60.944 |
289 |
3191 |
|
|
29 |
A" |
169 |
2967 |
17.519 |
289 |
3192 |
|
|
30 |
A" |
222 |
2967 |
13.338 |
289 |
3193 |
|
|
31 |
A" |
262 |
2967 |
11.319 |
289 |
3194 |
|
|
32 |
A" |
294 |
2875 |
9.784 |
289 |
3195 |
|
|
33 |
A" |
387 |
1460 |
3.773 |
289 |
3196 |
|
|
34 |
A" |
904 |
1445 |
1.599 |
289 |
3197 |
|
|
35 |
A" |
931 |
1445 |
1.552 |
289 |
3198 |
|
|
36 |
A" |
936 |
1435 |
1.533 |
289 |
3199 |
|
|
37 |
A" |
1004 |
1364 |
1.358 |
289 |
3200 |
|
|
38 |
A" |
1195 |
1181 |
0.988 |
289 |
3201 |
|
|
39 |
A" |
1345 |
1026 |
0.763 |
289 |
3202 |
|
|
40 |
A" |
1412 |
|
|
289 |
3203 |
|
|
41 |
A" |
1425 |
952 |
0.668 |
289 |
3204 |
|
|
42 |
A" |
1433 |
932 |
0.650 |
289 |
3205 |
|
|
43 |
A" |
1451 |
403 |
0.278 |
289 |
3206 |
|
|
44 |
A" |
2950 |
305 |
0.103 |
289 |
3207 |
|
|
45 |
A" |
3017 |
|
|
289 |
3208 |
|
|
46 |
A" |
3040 |
|
|
289 |
3209 |
|
|
47 |
A" |
3042 |
|
|
289 |
3210 |
|
|
48 |
A" |
3045 |
|
|
289 |
3211 |
C6H14 |
Hexane |
1 |
Ag |
285 |
2966 |
10.420 |
290 |
3212 |
|
|
2 |
Ag |
357 |
2877 |
8.056 |
290 |
3213 |
|
|
3 |
Ag |
879 |
2863 |
3.258 |
290 |
3214 |
|
|
4 |
Ag |
998 |
2852 |
2.858 |
290 |
3215 |
|
|
5 |
Ag |
1056 |
1460 |
1.383 |
290 |
3216 |
|
|
6 |
Ag |
1125 |
1460 |
1.298 |
290 |
3217 |
|
|
7 |
Ag |
1287 |
1440 |
1.119 |
290 |
3218 |
|
|
8 |
Ag |
1340 |
1397 |
1.042 |
290 |
3219 |
|
|
9 |
Ag |
1358 |
1366 |
1.006 |
290 |
3220 |
|
|
10 |
Ag |
1430 |
1305 |
0.912 |
290 |
3221 |
|
|
11 |
Ag |
1439 |
1140 |
0.792 |
290 |
3222 |
|
|
12 |
Ag |
1456 |
1065 |
0.732 |
290 |
3223 |
|
|
13 |
Ag |
2923 |
1007 |
0.344 |
290 |
3224 |
|
|
14 |
Ag |
2940 |
901 |
0.306 |
290 |
3225 |
|
|
15 |
Ag |
2956 |
371 |
0.126 |
290 |
3226 |
|
|
16 |
Ag |
3028 |
305 |
0.101 |
290 |
3227 |
|
|
17 |
Au |
69 |
2967 |
42.885 |
290 |
3228 |
|
|
18 |
Au |
99 |
2936 |
29.650 |
290 |
3229 |
|
|
19 |
Au |
244 |
2920 |
11.949 |
290 |
3230 |
|
|
20 |
Au |
709 |
1460 |
2.060 |
290 |
3231 |
|
|
21 |
Au |
778 |
1303 |
1.674 |
290 |
3232 |
|
|
22 |
Au |
980 |
1222 |
1.247 |
290 |
3233 |
|
|
23 |
Au |
1207 |
1010 |
0.837 |
290 |
3234 |
|
|
24 |
Au |
1287 |
824 |
0.640 |
290 |
3235 |
|
|
25 |
Au |
1448 |
726 |
0.501 |
290 |
3236 |
|
|
26 |
Au |
2957 |
216 |
0.073 |
290 |
3237 |
|
|
27 |
Au |
2985 |
94 |
0.031 |
290 |
3238 |
|
|
28 |
Au |
3021 |
61 |
0.020 |
290 |
3239 |
|
|
29 |
Bg |
142 |
2966 |
20.851 |
290 |
3240 |
|
|
30 |
Bg |
234 |
2908 |
12.453 |
290 |
3241 |
|
|
31 |
Bg |
721 |
2908 |
4.032 |
290 |
3242 |
|
|
32 |
Bg |
875 |
1460 |
1.669 |
290 |
3243 |
|
|
33 |
Bg |
1161 |
1305 |
1.124 |
290 |
3244 |
|
|
34 |
Bg |
1260 |
1283 |
1.018 |
290 |
3245 |
|
|
35 |
Bg |
1285 |
1168 |
0.909 |
290 |
3246 |
|
|
36 |
Bg |
1448 |
894 |
0.617 |
290 |
3247 |
|
|
37 |
Bg |
2944 |
740 |
0.251 |
290 |
3248 |
|
|
38 |
Bg |
2974 |
208 |
0.070 |
290 |
3249 |
|
|
39 |
Bg |
3021 |
125 |
0.041 |
290 |
3250 |
|
|
40 |
Bu |
127 |
2967 |
23.305 |
290 |
3251 |
|
|
41 |
Bu |
449 |
2884 |
6.422 |
290 |
3252 |
|
|
42 |
Bu |
871 |
2867 |
3.293 |
290 |
3253 |
|
|
43 |
Bu |
1028 |
2851 |
2.773 |
290 |
3254 |
|
|
44 |
Bu |
1051 |
1476 |
1.405 |
290 |
3255 |
|
|
45 |
Bu |
1224 |
1465 |
1.196 |
290 |
3256 |
|
|
46 |
Bu |
1332 |
1452 |
1.090 |
290 |
3257 |
|
|
47 |
Bu |
1355 |
1387 |
1.023 |
290 |
3258 |
|
|
48 |
Bu |
1431 |
1375 |
0.961 |
290 |
3259 |
|
|
49 |
Bu |
1447 |
1249 |
0.863 |
290 |
3260 |
|
|
50 |
Bu |
1461 |
1061 |
0.726 |
290 |
3261 |
|
|
51 |
Bu |
2928 |
1035 |
0.353 |
290 |
3262 |
|
|
52 |
Bu |
2944 |
888 |
0.302 |
290 |
3263 |
|
|
53 |
Bu |
2955 |
470 |
0.159 |
290 |
3264 |
|
|
54 |
Bu |
3028 |
139 |
0.046 |
290 |
3265 |