Species |
Name |
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Experimental data |
CH |
Methylidyne |
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Experimental data |
CH- |
methylidyne anion |
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Experimental data |
CH+ |
Methylidyne cation |
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Experimental data |
CH2 |
Methylene |
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Experimental data |
CH2- |
methylene anion |
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Experimental data |
CH2+ |
methylene cation |
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Experimental data |
CH3 |
Methyl radical |
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Experimental data |
CH3- |
methyl anion |
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Experimental data |
CH3+ |
methyl cation |
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Experimental data |
CD4 |
methane-d4 |
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Experimental data |
CH2D2 |
methane-d2 |
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Experimental data |
CH3D |
methane-d |
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Experimental data |
CH4 |
Methane |
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Experimental data |
CH4- |
Methane anion |
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Experimental data |
CH4+ |
Methane cation |
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Experimental data |
CHD3 |
methane-d3 |
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Experimental data |
C2H |
Ethynyl radical |
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Experimental data |
C2H- |
Ethynyl anion |
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Experimental data |
C2H+ |
Ethynyl cation |
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Experimental data |
ZnCH2 |
Zinc methylene |
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Experimental data |
C2H2 |
Acetylene |
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Experimental data |
C2H2+ |
acetylene cation |
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Experimental data |
CCH2 |
vinylidene |
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Experimental data |
H2CC- |
vinylidene anion |
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Experimental data |
HCCH- |
acetylene anion |
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Experimental data |
CH3Li |
methyl lithium |
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Experimental data |
CuCH3 |
monomethyl copper |
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Experimental data |
ZnCH3 |
Zinc monomethyl |
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Experimental data |
CH2BH |
methyleneborane |
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Experimental data |
C2H3 |
vinyl |
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Experimental data |
C2H3- |
vinyl anion |
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Experimental data |
C2H3+ |
vinyl cation |
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Experimental data |
C2H4 |
Ethylene |
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Experimental data |
C2H4- |
Ethylene anion |
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Experimental data |
C2H4+ |
Ethylene cation |
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Experimental data |
CH3CH |
methylmethylene |
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Experimental data |
CH2SiH2 |
silaethylene |
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Experimental data |
CH3BH2 |
methylborane |
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Experimental data |
C2H5 |
Ethyl radical |
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Experimental data |
C2H5- |
Ethyl anion |
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Experimental data |
C2H5+ |
Ethyl cation |
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Experimental data |
C2H6 |
Ethane |
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Experimental data |
C2H6+ |
ethane cation |
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Experimental data |
CH3SiH3 |
methyl silane |
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Experimental data |
GeH3CH3 |
methyl germane |
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Experimental data |
C2H7+ |
Ethane, protonated |
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Experimental data |
HCN |
Hydrogen cyanide |
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Experimental data |
HCN- |
Hydrogen cyanide anion |
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Experimental data |
HCN+ |
hydrogen cyanide cation |
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Experimental data |
HCP |
Phosphaethyne |
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Experimental data |
HCP+ |
Phosphaethyne cation |
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Experimental data |
H2CN |
Dihydrogen cyanide radical |
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Experimental data |
H2CN+ |
hydrocyanonium cation |
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Experimental data |
HCNH |
methyleneazane |
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Experimental data |
HCNH+ |
N-protonated HCN |
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Experimental data |
CH2NH |
Methanimine |
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Experimental data |
CH2NH+ |
Methanimine cation |
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Experimental data |
CHNH2 |
aminomethylene |
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Experimental data |
CHNH2+ |
Aminocarbene cation |
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Experimental data |
CH2PH |
Phosphaethene |
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Experimental data |
CH2NH2+ |
methyleneamine cation |
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Experimental data |
CH3NH2 |
methyl amine |
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Experimental data |
CH3NH2+ |
methyl amine cation |
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Experimental data |
CH3PH2 |
Methyl phosphine |
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Experimental data |
CH3NH3 |
methyl ammonium radical |
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Experimental data |
CH3NH3+ |
protonated methylamine |
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Experimental data |
CH3PH3+ |
methyl phosphine, protonated |
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Experimental data |
HCO |
Formyl radical |
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Experimental data |
HCO- |
formyl anion |
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Experimental data |
HCO+ |
Formyl cation |
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Experimental data |
HCS |
Thioformyl radical |
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Experimental data |
HCS- |
Thioformyl anion |
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Experimental data |
HCS+ |
Thioformyl cation |
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Experimental data |
H2CO |
Formaldehyde |
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Experimental data |
H2CO- |
formaldehyde anion |
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Experimental data |
H2CO+ |
formaldehyde cation |
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Experimental data |
HOCH |
hydroxycarbene |
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Experimental data |
H2CS |
Thioformaldehyde |
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Experimental data |
H2CS- |
thioformaldehyde anion |
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Experimental data |
H2CS+ |
thioformaldehyde cation |
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Experimental data |
H2CSe |
Selenoformaldehyde |
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Experimental data |
CH2OH |
Hydroxymethyl radical |
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Experimental data |
CH2OH+ |
hydroxymethyl cation |
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Experimental data |
CH3O |
Methoxy radical |
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Experimental data |
CH3O- |
methoxy anion |
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Experimental data |
CH3O+ |
Methoxy cation |
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Experimental data |
CH3S |
thiomethoxy |
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Experimental data |
H2CSH+ |
Thioformaldehyde, protonated |
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Experimental data |
CH3OH |
Methyl alcohol |
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Experimental data |
CH3OH- |
Methyl alcohol anion |
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Experimental data |
CH3OH+ |
Methyl alcohol cation |
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Experimental data |
CH3SH |
Methanethiol |
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Experimental data |
CH3SH+ |
Methanethiol cation |
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Experimental data |
SiH3OH |
silanol |
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Experimental data |
CH3SeH |
Methane selenol |
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Experimental data |
CH3OH2+ |
Methanol, protonated |
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Experimental data |
CH3SH2+ |
protonated methylsulfide |
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Experimental data |
HCF |
Fluoromethylene |
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Experimental data |
HCCl |
Chloromethylene |
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Experimental data |
CHBr |
bromomethylene |
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Experimental data |
CH2Br |
bromomethyl radical |
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Experimental data |
CH2F |
fluoromethyl radical |
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Experimental data |
CH2F+ |
fluoromethyl cation |
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Experimental data |
CH2Cl+ |
chloromethyl cation |
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Experimental data |
CH2Cl |
chloromethyl radical |
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Experimental data |
CH3F+ |
methyl fluoride cation |
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Experimental data |
CH3F |
Methyl fluoride |
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Experimental data |
CD3Cl |
methyl chloride d3 |
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Experimental data |
CH3Cl |
Methyl chloride |
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Experimental data |
CH3Cl+ |
Methyl chloride cation |
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Experimental data |
CH3Br |
methyl bromide |
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Experimental data |
CH3I |
methyl iodide |
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Experimental data |
CH3ClH+ |
methyl chloride, protonated |
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Experimental data |
C3H3 |
cyclopropenyl radical |
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Experimental data |
C3H3 |
Propargyl radical |
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Experimental data |
C3H3- |
Propargyl anion |
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Experimental data |
C3H3+ |
cyclopropenyl cation |
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Experimental data |
C3H3+ |
Propargyl cation |
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Experimental data |
C3H4 |
cyclopropene |
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Experimental data |
CH2CCH2 |
allene |
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Experimental data |
CH3CCH |
propyne |
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Experimental data |
C3H5 |
Allyl radical |
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Experimental data |
C3H5+ |
Allyl cation |
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Experimental data |
CH3CHCH |
1-propenyl radical |
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Experimental data |
Zn(CH3)2 |
dimethyl zinc |
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Experimental data |
C3H6 |
Cyclopropane |
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Experimental data |
CH2CHCH3 |
Propene |
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Experimental data |
C3H7 |
n-Propyl radical |
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Experimental data |
C3H7+ |
cyclopropane, protonated |
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Experimental data |
CH3CHCH3 |
Isopropyl radical |
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Experimental data |
CH3CHCH3+ |
Isopropyl cation |
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Experimental data |
C3H8 |
Propane |
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Experimental data |
SiH2(CH3)2 |
dimethylsilane |
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Experimental data |
HCCN |
cyanomethylene |
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Experimental data |
HCNN |
diazomethyl radical |
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Experimental data |
CH2N2 |
diazirine |
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Experimental data |
CH2NN |
diazomethane |
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Experimental data |
CH3CN |
Acetonitrile |
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Experimental data |
CH3CN- |
acetonitrile anion |
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Experimental data |
CH3CN+ |
Acetonitrile cation |
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Experimental data |
CH3NC |
methyl isocyanide |
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Experimental data |
CHNCH2 |
2H-Azirine |
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Experimental data |
CHNHCH |
1H-Azirine |
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Experimental data |
H2CCNH |
Ethenimine |
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Experimental data |
H2CNCH |
methyleneaminomethylene |
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Experimental data |
HCCNH2 |
Ethynamine |
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Experimental data |
HCNCH2+ |
2H-Azirine cation |
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Experimental data |
CH2CHNH |
vinylazine |
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Experimental data |
CH3CHN |
methylmethaniminyl radical |
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Experimental data |
NHCHNH2 |
aminomethanimine |
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Experimental data |
C2H5N |
Aziridine |
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Experimental data |
CH2CHNH2 |
aminoethene |
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Experimental data |
CH2NCH3 |
N-methylmethanimine |
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Experimental data |
CH3CHNH |
ethanimine |
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Experimental data |
C2H5NH+ |
Protonated Aziridine |
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Experimental data |
C2H6N+ |
aziridine, protonated |
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Experimental data |
NH2CH2NH2 |
diaminomethane |
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Experimental data |
CH3CH2NH2 |
Ethylamine |
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Experimental data |
CH3NHCH3 |
Dimethylamine |
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Experimental data |
CH3PHCH3 |
dimethylphosphine |
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Experimental data |
NH2CH2NH3+ |
diaminoethane, protonated |
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Experimental data |
(CH3)2NH2+ |
dimethylammonium cation |
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Experimental data |
CH3CH2NH3+ |
ethylamine, protonated |
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Experimental data |
HCCO |
ketenyl radical |
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Experimental data |
HCNO |
fulminic acid |
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Experimental data |
HCO2- |
formate anion |
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Experimental data |
HCOO |
formate neutral radical |
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Experimental data |
C2H2O |
Oxirene |
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Experimental data |
CH2CO |
Ketene |
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Experimental data |
CH2CO+ |
Ketene cation |
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Experimental data |
HCCOH |
ethynol |
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Experimental data |
CH2CS |
Thioketene |
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Experimental data |
CH2O2 |
Dioxirane |
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Experimental data |
H2COO |
Dioxymethyl radical |
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Experimental data |
H2COO+ |
dioxymethyl cation |
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Experimental data |
HCOOH |
Formic acid |
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Experimental data |
NaOCH3 |
Sodium methoxide |
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Experimental data |
CH2BOH |
hydroxy(methylene)borane |
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Experimental data |
CH3BO |
Borane, methyloxo- |
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Experimental data |
CH2CHO |
Vinyloxy radical |
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Experimental data |
CH2COH+ |
ketene, protonated |
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Experimental data |
CH3CO |
Acetyl radical |
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Experimental data |
CH3CO- |
Acetyl anion |
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Experimental data |
CH3CO+ |
acetyl cation |
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Experimental data |
CH2NOH |
formaldoxime |
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Experimental data |
CH3NO |
nitrosomethane |
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Experimental data |
CHONH2 |
formamide |
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Experimental data |
CNOH3 |
1,2-oxaziridine |
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Experimental data |
HOCHNH |
hydroxymethylimine |
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Experimental data |
CHSNH2 |
thioformamide |
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Experimental data |
NHCHSH |
Methanimidothioic acid |
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Experimental data |
CH2OOH |
CH2OOH radical |
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Experimental data |
CH3OO |
methylperoxy radical |
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Experimental data |
CH3OO- |
methylperoxy anion |
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Experimental data |
CH3OO+ |
methylperoxy cation |
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Experimental data |
C2H4O |
Ethylene oxide |
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Experimental data |
C2H4O+ |
ethylene oxide cation |
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Experimental data |
CH2CHOH |
ethenol |
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Experimental data |
CH3CHO |
Acetaldehyde |
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Experimental data |
CH3CHO+ |
acetaldehyde cation |
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Experimental data |
H2COCH2+ |
Methyl, (methyleneoxoniumyl)- |
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Experimental data |
C2H4S |
Thiirane |
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Experimental data |
CH2CHSH |
Ethenethiol |
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Experimental data |
CH3CHS |
Thioacetaldehyde |
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Experimental data |
H2CONH2+ |
protonated formamide |
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Experimental data |
NH2CHOH+ |
Formamide, O-protonated |
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Experimental data |
CH2(OH)2 |
methanediol |
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Experimental data |
CH3OOH |
Methyl peroxide |
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Experimental data |
CH3SSH |
Hydrogen methyl disulfide |
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Experimental data |
HSCH2SH |
Methanedithiol |
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Experimental data |
H2OH2CO |
water formaldehyde dimer |
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Experimental data |
C2H4OH+ |
ethylene oxide, protonated |
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Experimental data |
CH2CH2OH |
2-hydroxy ethyl radical |
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Experimental data |
CH3CH2O |
Ethoxy radical |
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Experimental data |
CH3CHOH |
1-hydroxy-ethyl radical |
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Experimental data |
CH3CHOH+ |
acetaldehyde, protonated |
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Experimental data |
CH3OCH2 |
methoxymethyl radical |
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Experimental data |
NH2CH2OH |
aminomethanol |
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Experimental data |
CH3CH2OH |
Ethanol |
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Experimental data |
CH3OCH3 |
Dimethyl ether |
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Experimental data |
CH3CH2SH |
ethanethiol |
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Experimental data |
CH3SCH3 |
Dimethyl sulfide |
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Experimental data |
CH3SCH3+ |
dimethyl sulfide cation |
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Experimental data |
CH3SeCH3 |
dimethylselenide |
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Experimental data |
CH3OHH2O |
methanol water dimer |
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Experimental data |
H2OCH3OH |
water methanol dimer |
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Experimental data |
HCCF |
Fluoroacetylene |
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Experimental data |
HCCF+ |
fluoroacetylene cation |
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Experimental data |
HCCCl |
Chloroacetylene |
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Experimental data |
HCCBr |
bromoacetylene |
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Experimental data |
HFCO |
formyl fluoride |
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Experimental data |
HFCO+ |
formyl fluoride cation |
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Experimental data |
COHCl |
Formyl chloride |
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Experimental data |
COHBr |
Formyl bromide |
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Experimental data |
CHCl2 |
dichloromethyl radical |
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Experimental data |
CHF2 |
difluoromethyl radical |
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Experimental data |
CHF2+ |
difluoromethyl cation |
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Experimental data |
CHFCl |
Chlorofluoromethyl radical |
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Experimental data |
CHFCl+ |
Chlorofluoromethyl cation |
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Experimental data |
CHCl2+ |
dichloromethyl cation |
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Experimental data |
CHBr2 |
dibromomethyl radical |
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Experimental data |
CH2F2 |
Methane, difluoro- |
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Experimental data |
CH2FCl |
fluorochloromethane |
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Experimental data |
CH2Cl2 |
Methylene chloride |
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Experimental data |
CH2BrF |
Methane, bromofluoro- |
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Experimental data |
CH2BrCl |
Methane, bromochloro- |
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Experimental data |
CH2FI |
fluoroiodomethane |
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Experimental data |
CH2Br2 |
dibromomethane |
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Experimental data |
CH2ClI |
chloroiodomethane |
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Experimental data |
CH2BrI |
bromoiodomethane |
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Experimental data |
CH2I2 |
Diiodomethane |
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Experimental data |
CH3MgBr |
Methyl Magnesium Bromide |
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Experimental data |
CH2CHF |
Ethene, fluoro- |
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Experimental data |
CH2CHF+ |
fluoroethene cation |
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Experimental data |
C2H3Cl |
Ethene, chloro- |
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Experimental data |
C2H3Br |
vinyl bromide |
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Experimental data |
C2H3I |
Vinyl iodide |
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Experimental data |
CH2FOH |
fluoromethanol |
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Experimental data |
CH3OCl |
methyl hypochlorite |
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Experimental data |
CH2CH2Cl |
2-chloroethyl radical |
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Experimental data |
CHClCH3 |
1-chloroethyl radical |
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Experimental data |
C2H5F |
fluoroethane |
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Experimental data |
CH3CH2Cl |
Ethyl chloride |
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Experimental data |
C2H5Br |
Ethyl bromide |
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Experimental data |
C2H5I |
Ethyl iodide |
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Experimental data |
C4H2 |
Diacetylene |
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Experimental data |
C4H2+ |
diacetlyene cation |
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Experimental data |
C2H3CCH |
1-Buten-3-yne |
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Experimental data |
C4H4 |
cyclobutadiene |
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Experimental data |
C4H4 |
Tetrahedrane |
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Experimental data |
H2CCCCH2 |
Butatriene |
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Experimental data |
C4H6 |
1-Methylcyclopropene |
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Experimental data |
C4H6 |
Cyclobutene |
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Experimental data |
C4H6 |
Methylenecyclopropane |
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Experimental data |
CH2CCHCH3 |
1,2-Butadiene |
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Experimental data |
CH2CHCHCH2 |
1,3-Butadiene |
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Experimental data |
CH3CCCH3 |
2-Butyne |
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Experimental data |
CHCCH2CH3 |
1-Butyne |
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Experimental data |
CH3CHCHCH2 |
methylallyl radical |
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Experimental data |
C4H8 |
methylcyclopropane |
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Experimental data |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
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Experimental data |
CH2CHCH2CH3 |
1-Butene |
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Experimental data |
CH3CHCHCH3 |
2-Butene, (E)- |
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Experimental data |
CH3CHCHCH3 |
2-Butene, (Z)- |
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Experimental data |
B(CH3)3 |
trimethylborane |
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Experimental data |
Al(CH3)3 |
trimethyl aluminum |
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Experimental data |
C(CH3)3 |
Tert-butyl radical |
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Experimental data |
CH2CH(CH3)2 |
Isobutyl radical |
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Experimental data |
CH3CHCH2CH3 |
2-Butyl radical |
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Experimental data |
CH3CH(CH3)CH3 |
Isobutane |
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Experimental data |
CH3CH2CH2CH3 |
Butane |
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Experimental data |
SiH(CH3)3 |
trimethylsilane |
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Experimental data |
HCCCN |
Cyanoacetylene |
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Experimental data |
HCCCN+ |
Cyanoacetylene cation |
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Experimental data |
H2CNCN |
cyanamide, methylene |
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Experimental data |
C3H3N |
acrylonitrile |
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Experimental data |
C3H3N+ |
acrylonitrile cation |
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Experimental data |
CH3N3 |
methyl azide |
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Experimental data |
NH2CH2CN |
Aminoacetonitrile |
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Experimental data |
CH3NHN2+ |
methyl azide, protonated |
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Experimental data |
C2H5CN |
ethyl cyanide |
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Experimental data |
C4H6 |
Bicyclo[1.1.0]butane |
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Experimental data |
CH3NNCH3 |
(Z)-1,2-Dimethyldiazene |
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Experimental data |
H2NCHCHNH2 |
diaminoethylene |
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Experimental data |
C3H7N |
Cyclopropylamine |
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Experimental data |
CH7N3 |
triaminomethane |
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Experimental data |
C3H7N |
Azetidine |
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Experimental data |
C4H8 |
cyclobutane |
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Experimental data |
C2H8N2 |
Ethylenediamine |
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Experimental data |
CH3NHNHCH3 |
dimethyl hydrazine |
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Experimental data |
CH3CH(NH2)CH3 |
2-Propanamine |
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Experimental data |
N(CH3)3 |
Trimethylamine |
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Experimental data |
NH2CH2CH2CH3 |
1-Propanamine |
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Experimental data |
P(CH3)3 |
trimethylphosphine |
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Experimental data |
As(CH3)3 |
trimethyl arsine |
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Experimental data |
(CH3)3NH+ |
protonated trimethyl amine |
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Experimental data |
C3H7NH3+ |
n-propylamine, protonated |
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Experimental data |
C2H2CO |
cyclopropenone |
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Experimental data |
C3H2O |
Propadienal |
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Experimental data |
HCCCHO |
2-propynal |
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Experimental data |
C2H2O2 |
Ethanedial |
List all bonds |
Experimental data |
C2H2O2+ |
Ethanedial cation |
List all bonds |
Experimental data |
C2H3NO |
Nitrosoethylene |
List all bonds |
Experimental data |
CH3NCO |
methylisocyante |
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Experimental data |
HOCH2CN |
cyanomethanol |
List all bonds |
Experimental data |
CH3COO- |
acetate anion |
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Experimental data |
CH3NO2 |
Methane, nitro- |
List all bonds |
Experimental data |
CH3ONO |
Methyl nitrite |
List all bonds |
Experimental data |
C3H4O |
2-Propyn-1-ol |
List all bonds |
Experimental data |
C3H4O |
allenol |
List all bonds |
Experimental data |
C3H4O |
Cyclopropanone |
List all bonds |
Experimental data |
C3H4O |
Methylketene |
List all bonds |
Experimental data |
CH2CHCHO |
Acrolein |
List all bonds |
Experimental data |
C2H4O2 |
1,3-dioxetane |
List all bonds |
Experimental data |
CH3COOH |
Acetic acid |
List all bonds |
Experimental data |
CH3OCHO |
methyl formate |
List all bonds |
Experimental data |
CHOCH2OH |
hydroxy acetaldehyde |
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Experimental data |
H2OHCOOH |
Water formic acid dimer 1 |
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Experimental data |
H2OHCOOH |
Water formic acid dimer 2 |
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Experimental data |
HCOOHH2O |
Formic acid water dimer |
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Experimental data |
HOCH2OOH |
hydroxy methyl peroxide |
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Experimental data |
CH3COCH2 |
Acetonyl radical |
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Experimental data |
CH2C(OH)NH2 |
1-amino vinyl alchohol |
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Experimental data |
CH3C(OH)=NH |
Ethaninidic acid |
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Experimental data |
CH3CHNOH |
Acetaldoxime |
List all bonds |
Experimental data |
CH3CONH2 |
Acetamide |
List all bonds |
Experimental data |
HCONHCH3 |
N-methylformamide |
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Experimental data |
CH3CSNH2 |
Ethanethioamide |
List all bonds |
Experimental data |
C2H5OO |
ethylperoxy radical |
List all bonds |
Experimental data |
CH3NNCH3 |
(E)-1,2-Dimethyldiazene |
List all bonds |
Experimental data |
C3H5OH |
Cyclopropanol |
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Experimental data |
C3H6O |
2-Propen-1-ol |
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Experimental data |
C3H6O |
Acetone enol |
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Experimental data |
C3H6O |
Oxetane |
List all bonds |
Experimental data |
C3H6O |
Propylene oxide |
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Experimental data |
CH3CH2CHO |
Propanal |
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Experimental data |
CH3COCH3 |
Acetone |
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Experimental data |
CH3COCH3- |
acetone anion |
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Experimental data |
C3H6S |
Thietane |
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Experimental data |
C3H6S |
Thiirane, methyl- |
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Experimental data |
CH3CSCH3 |
Thioacetone |
List all bonds |
Experimental data |
C2H6O2 |
1,2-Ethanediol |
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Experimental data |
CH3OOCH3 |
dimethylperoxide |
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Experimental data |
CH3SOCH3 |
Dimethyl sulfoxide |
List all bonds |
Experimental data |
CH2SHCH2SH |
1,2-Ethanedithiol |
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Experimental data |
CH3SSCH3 |
Disulfide, dimethyl |
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Experimental data |
CH3COHCH3+ |
acetone, protonated |
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Experimental data |
HOCH2CH2NH2 |
monoethanolamine |
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Experimental data |
C3H7OH |
1-Propanol |
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Experimental data |
CH3CHOHCH3 |
Isopropyl alcohol |
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Experimental data |
CH3OC2H5 |
Ethane, methoxy- |
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Experimental data |
C3H7SH |
1-Propanethiol |
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Experimental data |
CH3CHSHCH3 |
2-Propanethiol |
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Experimental data |
CH3SCH2CH3 |
Ethane, (methylthio)- |
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Experimental data |
H2OCH3OCH3 |
water dimethylether dimer |
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Experimental data |
CHF3 |
Methane, trifluoro- |
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Experimental data |
CHF2Cl |
difluorochloromethane |
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Experimental data |
CHFCl2 |
fluorodichloromethane |
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Experimental data |
CHCl3 |
Chloroform |
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Experimental data |
CHBrF2 |
Methane, bromodifluoro- |
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Experimental data |
CHFClBr |
fluorochlorobromomethane |
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Experimental data |
CHBrCl2 |
Methane, bromodichloro- |
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Experimental data |
CHF2I |
difluoroiodomethane |
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Experimental data |
CHBr2F |
dibromofluoromethane |
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Experimental data |
CHFClI |
fluorochloroiodomethane |
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Experimental data |
CHCl2I |
dichloroiodomethane |
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Experimental data |
CHClBr2 |
Methane, dibromochloro- |
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Experimental data |
CHBr3 |
bromoform |
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Experimental data |
CHI3 |
Iodoform |
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Experimental data |
C2H2F2 |
Ethene, 1,2-difluoro-, (E)- |
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Experimental data |
C2H2F2 |
Ethene, 1,2-difluoro-, (Z)- |
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Experimental data |
CH2CF2 |
Ethene, 1,1-difluoro- |
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Experimental data |
C2H2ClF |
1-chloro-1-fluoroethylene |
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Experimental data |
CHFCHCl |
(E)-1-chloro-2-fluoroethene |
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Experimental data |
CHFCHClz |
(Z)-1-Chloro-2-fluoroethene |
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Experimental data |
CH2CCl2 |
Ethene, 1,1-dichloro- |
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Experimental data |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
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Experimental data |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
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Experimental data |
C2H2Br2 |
1,1-dibromoethene |
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Experimental data |
CHBrCHBr |
Ethene, 1,2-dibromo-, (E)- |
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Experimental data |
CHBrCHBr |
Ethene, 1,2-dibromo-, (Z)- |
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Experimental data |
CH2FCHO |
Fluoroacetaldehyde |
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Experimental data |
CH3COF |
Acetyl fluoride |
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Experimental data |
CH2ClCHO |
chloroacetaldehyde |
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Experimental data |
CH3COCl |
Acetyl Chloride |
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Experimental data |
C2H4F2 |
1,2-difluoroethane |
List all bonds |
Experimental data |
CH3CHF2 |
Ethane, 1,1-difluoro- |
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Experimental data |
CH2FCH2Cl |
Ethane, 1-chloro-2-fluoro- |
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Experimental data |
CH3CHFCl |
Ethane, 1-chloro-1-fluoro- |
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Experimental data |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
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Experimental data |
CH3CHCl2 |
Ethane, 1,1-dichloro- |
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Experimental data |
CH2BrCH2Cl |
1-bromo-2-chloroethane |
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Experimental data |
CH2BrCH2Br |
Ethane, 1,2-dibromo- |
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Experimental data |
CH2CFCH3 |
2-fluoropropene |
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Experimental data |
CH2CHCH2F |
Allyl Fluoride |
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Experimental data |
CH3CHCHF |
trans-1-Fluoro-1-propene |
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Experimental data |
C3H5Cl |
1-Propene, 3-chloro- |
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Experimental data |
C3H5Cl |
1-chloro-1-propene(E) |
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Experimental data |
C3H5Cl |
1-chloro-1-propene(Z) |
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Experimental data |
CH2FCH2OH |
2-fluoroethanol |
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Experimental data |
CH2ClCH2OH |
2-Chloroethanol |
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Experimental data |
CH2ClCH2OH2+ |
2-chloroethanol, protonated |
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Experimental data |
CH2FCH2CH3 |
1-Fluoropropane |
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Experimental data |
CH3CHFCH3 |
2-Fluoropropane |
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Experimental data |
CH2ClCH2CH3 |
Propane, 1-chloro- |
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Experimental data |
CH3CHClCH3 |
Propane, 2-chloro- |
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Experimental data |
CH3CH2CH2Br |
n-propyl bromide |
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Experimental data |
CH3CHBrCH3 |
i-propyl bromide |
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Experimental data |
C3H9O+ |
trimethyl oxonium cation |
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Experimental data |
C5H4 |
pentatetraene |
List all bonds |
Experimental data |
C5H5 |
cyclopentadienyl radical |
List all bonds |
Experimental data |
C5H5- |
cylopentadienyl anion |
List all bonds |
Experimental data |
C5H6 |
1,3-Cyclopentadiene |
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Experimental data |
C5H6 |
1-Buten-3-yne, 2-methyl- |
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Experimental data |
C5H6 |
3-Penten-1-yne, (E)- |
List all bonds |
Experimental data |
C5H6 |
3-Penten-1-yne, (Z)- |
List all bonds |
Experimental data |
C5H6 |
Bicyclo[2.1.0]pent-2-ene |
List all bonds |
Experimental data |
C5H6 |
Cyclopropylacetylene |
List all bonds |
Experimental data |
C5H6 |
Propellane |
List all bonds |
Experimental data |
C5H7 |
1,3-pentadienyl radical |
List all bonds |
Experimental data |
C5H7 |
cyclopentenyl radical |
List all bonds |
Experimental data |
C5H8 |
1,2-Butadiene, 3-methyl- |
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Experimental data |
C5H8 |
1,2-Pentadiene |
List all bonds |
Experimental data |
C5H8 |
1,3-Butadiene, 2-methyl- |
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Experimental data |
C5H8 |
1,3-Pentadiene, (E)- |
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Experimental data |
C5H8 |
1,3-Pentadiene, (Z)- |
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Experimental data |
C5H8 |
1,4-Pentadiene |
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Experimental data |
C5H8 |
1-pentyne |
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Experimental data |
C5H8 |
2,3-Pentadiene |
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Experimental data |
C5H8 |
Bicyclo[1.1.1]pentane |
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Experimental data |
C5H8 |
Cyclobutane, methylene- |
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Experimental data |
C5H8 |
Cyclopentene |
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Experimental data |
C5H8 |
Ethenylcyclopropane |
List all bonds |
Experimental data |
CH3CCCH2CH3 |
2-Pentyne |
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Experimental data |
C5H10 |
1-Butene, 2-methyl- |
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Experimental data |
C5H10 |
2-Butene, 2-methyl- |
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Experimental data |
C5H10 |
2-Pentene, (E)- |
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Experimental data |
C5H10 |
2-Pentene, (Z)- |
List all bonds |
Experimental data |
C5H10 |
Cyclopentane |
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Experimental data |
C5H10 |
Cyclopropane, 1,1-dimethyl- |
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Experimental data |
CH2CHCH2CH2CH3 |
1-pentene |
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Experimental data |
C5H11 |
2-Methylbut-2-yl radical |
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Experimental data |
C5H12 |
Butane, 2-methyl- |
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Experimental data |
C5H12 |
Pentane |
List all bonds |
Experimental data |
C5H12 |
Propane, 2,2-dimethyl- |
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Experimental data |
Si(CH3)4 |
tetramethylsilane |
List all bonds |
Experimental data |
C3H2N2 |
Malononitrile |
List all bonds |
Experimental data |
CH2N4 |
1H-Tetrazole |
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Experimental data |
C3H3N2 |
imidazolyl radical |
List all bonds |
Experimental data |
C3H3N2- |
imidizolyl anion |
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Experimental data |
C2H3N3 |
1H-1,2,4-Triazole |
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Experimental data |
C4H4N |
pyrrolide radical |
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Experimental data |
C4H4N- |
pyrrolide anion |
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Experimental data |
C3H4N2 |
1H-Imidazole |
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Experimental data |
C3H4N2 |
1H-Pyrazole |
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Experimental data |
C3H4N2 |
2H-Imidazole |
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Experimental data |
C3H4N2 |
4H-Imidazole |
List all bonds |
Experimental data |
C4H5N |
(E)-2-Butenenitrile |
List all bonds |
Experimental data |
C4H5N |
(Z)-2-Butenenitrile |
List all bonds |
Experimental data |
C4H5N |
2H-pyrrole |
List all bonds |
Experimental data |
C4H5N |
3H-pyrrole |
List all bonds |
Experimental data |
C4H5N |
Cyclopropanecarbonitrile |
List all bonds |
Experimental data |
C4H5N |
Pyrrole |
List all bonds |
Experimental data |
CH2CHCH2CN |
Allylcyanide |
List all bonds |
Experimental data |
C4H6N+ |
pyrrole, alpha-protonated |
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Experimental data |
C4H6N+ |
pyrrole, beta-protonated |
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Experimental data |
C4H6N+ |
pyrrole, protonated |
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Experimental data |
C3H6N2 |
3-Aminopropionitrile |
List all bonds |
Experimental data |
CH3CH(CH3)CN |
Propanenitrile, 2-methyl- |
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Experimental data |
CH3CH2CH2CN |
Butanenitrile |
List all bonds |
Experimental data |
C5H8 |
Bicyclo[2.1.0]pentane |
List all bonds |
Experimental data |
C5H8 |
Spiropentane |
List all bonds |
Experimental data |
C4H9N |
Cyclobutylamine |
List all bonds |
Experimental data |
C4H9N |
Pyrrolidine |
List all bonds |
Experimental data |
C3H10N2 |
1,2-Diaminopropane |
List all bonds |
Experimental data |
C(CH3)3NH2 |
2-Propanamine, 2-methyl- |
List all bonds |
Experimental data |
C(NH2)H2C(CH3)HCH3 |
1-Propanamine, 2-methyl- |
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Experimental data |
C(NH2)H2CH2CH2CH3 |
1-Butanamine |
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Experimental data |
CH3C(NH2)HCH2CH3 |
2-Butanamine |
List all bonds |
Experimental data |
NH(C2H5)2 |
diethylamine |
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Experimental data |
NC4H12+ |
tetramethyl ammonium cation |
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Experimental data |
C2H2N2S |
1,3,4-Thiadiazole |
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Experimental data |
C3H2O2 |
Propiolic acid |
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Experimental data |
CHOCOOH |
oxo acetic acid |
List all bonds |
Experimental data |
CHOOCHO |
diformyl ether |
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Experimental data |
C3H3NO |
Isoxazole |
List all bonds |
Experimental data |
C3H3NO |
Oxazole |
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Experimental data |
C3H3NS |
Thiazole |
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Experimental data |
CH3C(O)OO |
acetyl peroxy radical |
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Experimental data |
CH3NO3 |
Methyl nitrate |
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Experimental data |
C4H4O |
Furan |
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Experimental data |
C4H4O+ |
Furan cation |
List all bonds |
Experimental data |
CH3COCCH |
3-butyn-2-one |
List all bonds |
Experimental data |
C4H4S |
Thiophene |
List all bonds |
Experimental data |
C4H4Se |
selenophene |
List all bonds |
Experimental data |
C3H4O2 |
β–Propiolactone |
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Experimental data |
C3H4O2 |
2-Propenoic acid |
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Experimental data |
C3H4O2 |
Methyl glyoxal |
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Experimental data |
C3H4O2 |
propanedial |
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Experimental data |
C3H4O2 |
propenalol |
List all bonds |
Experimental data |
HOCHCCHOH |
allenediol |
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Experimental data |
C2H4O3 |
1,2,3-trioxolane |
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Experimental data |
C2H4O3 |
trioxolane124 |
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Experimental data |
HOCH2COOH |
Hydroxyacetic acid |
List all bonds |
Experimental data |
CH2CHCONH2 |
Acrylamide |
List all bonds |
Experimental data |
CH3OCH2CN |
Methoxyacetonitrile |
List all bonds |
Experimental data |
H2NCH2COOH |
Glycine |
List all bonds |
Experimental data |
CH3SO2NH2 |
methanesulfonamide |
List all bonds |
Experimental data |
C4H6O |
cis-2-butenal |
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Experimental data |
C4H6O |
Cyclobutanone |
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Experimental data |
C4H6O |
Furan, 2,3-dihydro- |
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Experimental data |
C4H6O |
Furan, 2,5-dihydro- |
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Experimental data |
CH2CHOCHCH2 |
Vinyl ether |
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Experimental data |
CHOCHCHCH3 |
2-Butenal |
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Experimental data |
C4H6S |
Thiophene, 2,3-dihydro- |
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Experimental data |
C4H6S |
Thiophene, 2,5-dihydro- |
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Experimental data |
CH2CHSCHCH2 |
Divinyl sulfide |
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Experimental data |
C2H6N2O |
Urea, methyl- |
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Experimental data |
C3H6O2 |
1,3-Dioxolane |
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Experimental data |
CH3CH2COOH |
Propanoic Acid |
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Experimental data |
CH3COOCH3 |
methyl acetate |
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Experimental data |
HCOOC2H5 |
Ethyl formate |
List all bonds |
Experimental data |
C2H6O2S |
Dimethyl sulfone |
List all bonds |
Experimental data |
CH3SSSCH3 |
dimethyl trisulfide |
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Experimental data |
C3H7NO |
dimethylformamide |
List all bonds |
Experimental data |
C3H7NO |
Propanamide |
List all bonds |
Experimental data |
C2H3OC2H5 |
Ethene, ethoxy- |
List all bonds |
Experimental data |
C4H8O |
Cyclobutanol |
List all bonds |
Experimental data |
C4H8O |
Furan, tetrahydro- |
List all bonds |
Experimental data |
CH2C(CH3)OCH3 |
1-Propene, 2-methoxy- |
List all bonds |
Experimental data |
CH3COCH2CH3 |
2-Butanone |
List all bonds |
Experimental data |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
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Experimental data |
CHOCH2CH2CH3 |
Butanal |
List all bonds |
Experimental data |
C4H8S |
Thiophene, tetrahydro- |
List all bonds |
Experimental data |
C3H8O2 |
1,3-Propanediol |
List all bonds |
Experimental data |
C3H8O2 |
Hydroperoxide, 1-methylethyl |
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Experimental data |
C3H8O2 |
Methane, dimethoxy- |
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Experimental data |
C3H8O2 |
Propylene glycol |
List all bonds |
Experimental data |
C3H8S2 |
1,3-Propanedithiol |
List all bonds |
Experimental data |
C4H10O |
1-Butanol |
List all bonds |
Experimental data |
C4H10O |
1-Propanol, 2-methyl- |
List all bonds |
Experimental data |
C4H10O |
2-Butanol, (.+/-.)- |
List all bonds |
Experimental data |
C4H10O |
Ethanol, 1,1-dimethyl- |
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Experimental data |
C4H10O |
Ethoxy ethane |
List all bonds |
Experimental data |
C4H10O |
Methyl propyl ether |
List all bonds |
Experimental data |
C4H10O |
Propane, 2-methoxy- |
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Experimental data |
C4H10O+ |
1-Butanol cation |
List all bonds |
Experimental data |
C(CH3)3SH |
2-Propanethiol, 2-methyl- |
List all bonds |
Experimental data |
C2H5SC2H5 |
Diethyl sulfide |
List all bonds |
Experimental data |
C4H9SH |
1-Butanethiol |
List all bonds |
Experimental data |
CH2(SH)CH(CH3)CH3 |
1-Propanethiol, 2-methyl- |
List all bonds |
Experimental data |
CH3C(SCH3)HCH3 |
Propane, 2-(methylthio)- |
List all bonds |
Experimental data |
CH3CH(SH)CH2CH3 |
2-Butanethiol |
List all bonds |
Experimental data |
C2HF3 |
Trifluoroethylene |
List all bonds |
Experimental data |
C2HF3+ |
Trifluoroethylene cation |
List all bonds |
Experimental data |
CHClCCl2 |
Trichloroethylene |
List all bonds |
Experimental data |
CHBrCF2 |
1-Bromo-2,2-difluoroethylene |
List all bonds |
Experimental data |
CH2ClCCCl |
1,3-dichloropropyne |
List all bonds |
Experimental data |
CHClCCHCl |
1,3-dichloroallene |
List all bonds |
Experimental data |
CHCl2CCH |
3,3-dichloropropyne |
List all bonds |
Experimental data |
CHCl2CHO |
dichloroacetaldehyde |
List all bonds |
Experimental data |
PF3CH2 |
phosphorane, trifluoromethylene- |
List all bonds |
Experimental data |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
List all bonds |
Experimental data |
CHF2CH2F |
Ethane, 1,1,2-trifluoro |
List all bonds |
Experimental data |
CH3CF2Cl |
1-Chloro-1,1-Difluoroethane |
List all bonds |
Experimental data |
CH3CFCl2 |
1,1-Dichloro-1-fluoroethane |
List all bonds |
Experimental data |
CH2ClCHCl2 |
1,1,2-trichloroethane |
List all bonds |
Experimental data |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
List all bonds |
Experimental data |
SiCl3CH3 |
methyltrichlorosilane |
List all bonds |
Experimental data |
CH3CBr3 |
1,1,1-tribromoethane |
List all bonds |
Experimental data |
CH2CClCHCH2 |
1,3-Butadiene, 2-chloro- |
List all bonds |
Experimental data |
C3H5ClO |
Oxirane, (chloromethyl)- |
List all bonds |
Experimental data |
CH2FCH2CH2F |
1,3-difluoropropane |
List all bonds |
Experimental data |
CH3CF2CH3 |
2,2-difluoropropane |
List all bonds |
Experimental data |
CH2ClCH2CH2Cl |
1,3-dichloropropane |
List all bonds |
Experimental data |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
List all bonds |
Experimental data |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
List all bonds |
Experimental data |
CHCl2CH2CH3 |
1,1-dichloropropane |
List all bonds |
Experimental data |
SiCl2(CH3)2 |
dichlorodimethylsilane |
List all bonds |
Experimental data |
CH2CClCH2CH3 |
1-Butene, 2-chloro- |
List all bonds |
Experimental data |
CH2CHCH2CH2Cl |
1-Butene, 4-chloro- |
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Experimental data |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
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Experimental data |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
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Experimental data |
CH3CClCHCH3 |
2-Butene, 2-chloro-, (E)- |
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Experimental data |
CH3CClCHCH3 |
2-Butene, 2-chloro-, (Z)- |
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Experimental data |
CHClCHCH2CH3 |
(E)-1-Chloro-1-butene |
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Experimental data |
CHClCHCH2CH3 |
(Z)-1-Chloro-1-butene |
List all bonds |
Experimental data |
C4H9F |
1-fluorobutane |
List all bonds |
Experimental data |
CH3CHFCH2CH3 |
2-fluorobutane |
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Experimental data |
CH2ClCH2CH2CH3 |
Butane, 1-chloro- |
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Experimental data |
CH3CCl(CH3)CH3 |
Propane, 2-chloro-2-methyl- |
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Experimental data |
CH3CHClCH2CH3 |
Butane, 2-chloro- |
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Experimental data |
C2H2N2O |
Furazan |
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Experimental data |
C6H2 |
hexatriyne |
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Experimental data |
C6H4 |
(E)-Hexa-1,5-diyne-3-ene |
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Experimental data |
C6H4 |
(Z)-Hexa-1,5-diyne-3-ene |
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Experimental data |
C6H4 |
Benzyne |
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Experimental data |
C6H5 |
phenyl |
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Experimental data |
C6H5- |
phenyl anion |
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Experimental data |
C6H6 |
Prismane |
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Experimental data |
C6H6 |
1,2,4,5-Hexatetraene |
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Experimental data |
C6H6 |
2,4-Hexadiyne |
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Experimental data |
C6H6 |
3,4-Dimethylenecyclobutene |
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Experimental data |
C6H6 |
Benzene |
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Experimental data |
C6H6 |
Benzvalene |
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Experimental data |
C6H6 |
Dewar Benzene |
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Experimental data |
C6H6 |
Hexa-1,5-diene-3-yne |
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Experimental data |
C6H6 |
Trimethylenecycopropane |
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Experimental data |
C6H6+ |
Benzene cation |
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Experimental data |
C6H7+ |
benzene, protonated |
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Experimental data |
C6H8 |
(E)-hexa-1,3,5-triene |
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Experimental data |
C6H8 |
(E)-hexa-2,3,4-triene |
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Experimental data |
C6H8 |
(Z)-hexa-1,3,5-triene |
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Experimental data |
C6H8 |
(Z)-hexa-2,3,4-triene |
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Experimental data |
C6H8 |
1,3-Cyclohexadiene |
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Experimental data |
C6H8 |
1,4-Cyclohexadiene |
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Experimental data |
C6H8 |
3-Methylenecyclopentene |
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Experimental data |
C6H8 |
Bicyclo[2.1.1]hex-2-ene |
List all bonds |
Experimental data |
C6H8 |
Bicyclo[2.2.0]hex-1(4)-ene |
List all bonds |
Experimental data |
C6H8 |
Bicyclo[3.1.0]hex-2-ene |
List all bonds |
Experimental data |
C6H10 |
1,3-Hexadiene, (E)- |
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Experimental data |
C6H10 |
1,3-Hexadiene, (Z)- |
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Experimental data |
C6H10 |
1,4-Hexadiene, (E)- |
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Experimental data |
C6H10 |
1,4-Hexadiene, (Z)- |
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Experimental data |
C6H10 |
1,5-Hexadiene |
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Experimental data |
C6H10 |
1-Butyne, 3,3-dimethyl- |
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Experimental data |
C6H10 |
1-Hexyne |
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Experimental data |
C6H10 |
2,4-Hexadiene, (E,E)- |
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Experimental data |
C6H10 |
2,4-Hexadiene, (E,Z)- |
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Experimental data |
C6H10 |
2,4-Hexadiene, (Z,Z)- |
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Experimental data |
C6H10 |
2-Hexyne |
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Experimental data |
C6H10 |
3-Hexyne |
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Experimental data |
C6H10 |
cyclohexene |
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Experimental data |
C6H10 |
Cyclopentene, 1-methyl- |
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Experimental data |
C6H10 |
Cyclopentene, 3-methyl- |
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Experimental data |
C6H10 |
Cyclopentene, 4-methyl- |
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Experimental data |
C4H6(CH3)2 |
1,1-dimethylcyclobutane |
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Experimental data |
C6H12 |
(1R,2R)-1,2-dimethylcyclobutane |
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Experimental data |
C6H12 |
(1r,3r)-1,3-dimethylcyclobutane |
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Experimental data |
C6H12 |
(E)-2-Hexene |
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Experimental data |
C6H12 |
(E)-3-methylpent-2-ene |
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Experimental data |
C6H12 |
(E)-hex-3-ene |
List all bonds |
Experimental data |
C6H12 |
(Z)-3-methylpent-2-ene |
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Experimental data |
C6H12 |
(Z)-hex-2-ene |
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Experimental data |
C6H12 |
(Z)-hex-3-ene |
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Experimental data |
C6H12 |
2,3-dimethylbut-1-ene |
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Experimental data |
C6H12 |
2,3-dimethyl-but-2-ene |
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Experimental data |
C6H12 |
3-methylenepentane |
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Experimental data |
C6H12 |
cis-1,2-dimethylcyclobutane |
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Experimental data |
C6H12 |
cis-1,3-dimethylcyclobutane |
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Experimental data |
C6H12 |
Cyclohexane |
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Experimental data |
C6H12 |
Cyclopentane, methyl- |
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Experimental data |
C6H12 |
Ethylcyclobutane |
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Experimental data |
C6H12 |
hex-1-ene |
List all bonds |
Experimental data |
C6H14 |
Butane, 2,2-dimethyl- |
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Experimental data |
C6H14 |
Butane, 2,3-dimethyl- |
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Experimental data |
C6H14 |
Hexane |
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Experimental data |
C6H14 |
Pentane, 2-methyl- |
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Experimental data |
C6H14 |
Pentane, 3-methyl- |
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Experimental data |
C4H2N2 |
Fumaronitrile |
List all bonds |
Experimental data |
C2H2N4 |
sym-tetrazine |
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Experimental data |
C3H3N3 |
1,3,5-Triazine |
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Experimental data |
C4H4N2 |
1,3-Diazine |
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Experimental data |
C4H4N2 |
Pyrazine |
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Experimental data |
C4H4N2 |
Pyridazine |
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Experimental data |
C4H4N2 |
Succinonitrile |
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Experimental data |
C2H4N4 |
1H-Tetrazole, 1-methyl- |
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Experimental data |
C2H4N4 |
1H-Tetrazole, 5-methyl- |
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Experimental data |
C2H4N4 |
2H-Tetrazole, 2-methyl- |
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Experimental data |
C5H5N |
Bicyclo[1.1.0]butane-1-carbonitrile |
List all bonds |
Experimental data |
C5H5N |
E-2,4-pentadienenitrile |
List all bonds |
Experimental data |
C5H5N |
Pyridine |
List all bonds |
Experimental data |
C6H6 |
Fulvene |
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Experimental data |
C5H6N+ |
Pyridinium |
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Experimental data |
C4H6N2 |
1H-Imidazole, 2-methyl- |
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Experimental data |
C5H7N |
(E)-2-Pentenenitrile |
List all bonds |
Experimental data |
C5H7N |
(E)-3-Pentenenitrile |
List all bonds |
Experimental data |
C5H7N |
(Z)-2-Pentenenitrile |
List all bonds |
Experimental data |
C5H7N |
1H-Pyrrole, 1-methyl- |
List all bonds |
Experimental data |
C5H7N |
Cyclobutanecarbonitrile |
List all bonds |
Experimental data |
C5H9N |
1,2,3,6-Tetrahydropyridine |
List all bonds |
Experimental data |
C5H9N |
Butanenitrile, 2-methyl- |
List all bonds |
Experimental data |
C5H9N |
Pentanenitrile |
List all bonds |
Experimental data |
C5H9N |
Propanenitrile, 2,2-dimethyl- |
List all bonds |
Experimental data |
C6H10 |
Bicyclo[3.1.0]hexane |
List all bonds |
Experimental data |
C5H11N |
Cyclopentanamine |
List all bonds |
Experimental data |
C5H11N |
Piperidine |
List all bonds |
Experimental data |
C4H12N2 |
1,2-Butanediamine |
List all bonds |
Experimental data |
C4H12N2 |
2-Methyl-1,2-propanediamine |
List all bonds |
Experimental data |
C3H2O3 |
vinylene carbonate |
List all bonds |
Experimental data |
C4H4O2 |
2(5H)-Furanone |
List all bonds |
Experimental data |
C4H4O2 |
2-Oxetanone, 4-methylene- |
List all bonds |
Experimental data |
C2H4CO3 |
Ethylene carbonate |
List all bonds |
Experimental data |
C3H4O2S |
2H-Thiete-1,1-dioxide |
List all bonds |
Experimental data |
C3H4S3 |
1,3-Dithiolane-2-thione |
List all bonds |
Experimental data |
C2H4O4 |
Formic acid dimer |
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Experimental data |
C4H5NO |
3-Methylisoxazole |
List all bonds |
Experimental data |
C4H5NO |
Isoxazole, 5-methyl- |
List all bonds |
Experimental data |
C4H5NS |
4-Methylthiazole |
List all bonds |
Experimental data |
C2H5NO3 |
Nitric acid, ethyl ester |
List all bonds |
Experimental data |
C5H6O |
2H-Pyran |
List all bonds |
Experimental data |
C5H6O |
2-methylfuran |
List all bonds |
Experimental data |
C5H6O |
3-Methylfuran |
List all bonds |
Experimental data |
C5H6O |
Pentadienal |
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Experimental data |
C5H6S |
Thiophene, 2-methyl- |
List all bonds |
Experimental data |
C5H6S |
Thiophene, 3-methyl- |
List all bonds |
Experimental data |
C4H6O2 |
γ–Butyrolactone |
List all bonds |
Experimental data |
C4H6O2 |
2,3-Butanedione |
List all bonds |
Experimental data |
C4H6O2 |
2-Propenoic acid, methyl ester |
List all bonds |
Experimental data |
C4H6O2 |
Crotonic Acid |
List all bonds |
Experimental data |
C4H6OS |
2,3-dihydrothiophene-2-ol |
List all bonds |
Experimental data |
C4H6OS |
2,5-dihydrothiophene-3-ol |
List all bonds |
Experimental data |
C4H6OS |
4,5-dihydrothiophene-2-ol |
List all bonds |
Experimental data |
C4H6OS |
4,5-dihydrothiophene-3-ol |
List all bonds |
Experimental data |
C4H6OS |
Dihydro-2-(3H)-thiophenone |
List all bonds |
Experimental data |
C4H6OS |
Dihydro-3-(2H)-thiophenone |
List all bonds |
Experimental data |
C4H6OS |
Vinyl sulfoxide |
List all bonds |
Experimental data |
C2H6N2O2 |
(E)-Azodioxymethane |
List all bonds |
Experimental data |
C2H6N2O2 |
Dimethylnitroamine |
List all bonds |
Experimental data |
C3H6O3 |
1,3,5-Trioxane |
List all bonds |
Experimental data |
C3H6S3 |
1,3,5-Trithiane |
List all bonds |
Experimental data |
C3H6S3 |
Carbonotrithioic acid, dimethyl ester |
List all bonds |
Experimental data |
C2H6O3S |
Sulfurous acid, dimethyl ester |
List all bonds |
Experimental data |
C4H7NO |
2-Pyrrolidinone |
List all bonds |
Experimental data |
C4H7NO |
Ethoxyacetonitrile |
List all bonds |
Experimental data |
C4H7NO |
Methacrylamide |
List all bonds |
Experimental data |
C4H7NO |
Oxazole, 4,5-dihydro-2-methyl- |
List all bonds |
Experimental data |
HCONH2CN2H4 |
formamide aminomethanimine dimer |
List all bonds |
Experimental data |
C3H7ONO |
Propyl nitrite |
List all bonds |
Experimental data |
CH3CH(CH3)ONO |
Isopropyl nitrite |
List all bonds |
Experimental data |
CH3CH(NH2)COOH |
Alanine |
List all bonds |
Experimental data |
CH3NHCH2COOH |
Sarcosine |
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Experimental data |
NH2CH2CH2COOH |
β–alanine |
List all bonds |
Experimental data |
NH2COOC2H5 |
Urethane |
List all bonds |
Experimental data |
C5H8O |
2H-Pyran, 3,4-dihydro- |
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Experimental data |
C5H8O |
Cyclopentanone |
List all bonds |
Experimental data |
C5H8O |
Furan, 2,3-dihydro-5-methyl- |
List all bonds |
Experimental data |
C5H8O |
Methyl cyclopropyl ketone |
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Experimental data |
N(CH3)2CONH2 |
Urea, N,N-dimethyl- |
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Experimental data |
NH(CH3)CONH(CH3) |
Urea, N,N'-dimethyl- |
List all bonds |
Experimental data |
NH2CONHC2H5 |
Urea, ethyl- |
List all bonds |
Experimental data |
C4H8O2 |
1,3-Dioxane |
List all bonds |
Experimental data |
C4H8O2 |
1,3-Dioxolane, 2-methyl- |
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Experimental data |
C4H8O2 |
1,4-Dioxane |
List all bonds |
Experimental data |
C4H8O2 |
Ethene, 1,1-dimethoxy- |
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Experimental data |
C4H8O2 |
Ethyl acetate |
List all bonds |
Experimental data |
C4H8OS |
s-Ethyl thioacetate |
List all bonds |
Experimental data |
C3H8O3 |
1,2,3-Propanetriol |
List all bonds |
Experimental data |
C3H8O2S |
(Methylsulfonyl)ethane |
List all bonds |
Experimental data |
C4H9NO |
Butanamide |
List all bonds |
Experimental data |
C4H9NO |
Propanamide, 2-methyl- |
List all bonds |
Experimental data |
C5H10O |
2-Butanone, 3-methyl- |
List all bonds |
Experimental data |
C5H10O |
2H-Pyran, tetrahydro- |
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Experimental data |
C5H10O |
2-methylbutyraldehyde |
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Experimental data |
C5H10O |
2-Pentanone |
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Experimental data |
C5H10O |
3-Pentanone |
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Experimental data |
C5H10O |
Cyclopentanol |
List all bonds |
Experimental data |
C5H10O |
Oxetane, 3,3-dimethyl- |
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Experimental data |
C5H10O |
Pentanal |
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Experimental data |
C5H10S |
2H-Thiopyran, tetrahydro- |
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Experimental data |
C5H10S |
3-Ethylthio-1-propene |
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Experimental data |
C5H10S |
Cyclopentanethiol |
List all bonds |
Experimental data |
C5H10S |
Thiophene, tetrahydro-2-methyl- |
List all bonds |
Experimental data |
C5H10S |
Thiophene, tetrahydro-3-methyl- |
List all bonds |
Experimental data |
C4H10O2 |
1,1-Dimethoxyethane |
List all bonds |
Experimental data |
C4H10O2 |
1,3-Butanediol |
List all bonds |
Experimental data |
C4H10O2 |
1,4-Butanediol |
List all bonds |
Experimental data |
C4H10O2 |
Ethane, 1,2-dimethoxy- |
List all bonds |
Experimental data |
C4H10OS |
Diethyl sulfoxide |
List all bonds |
Experimental data |
C4H10S2 |
1,4-Butanedithiol |
List all bonds |
Experimental data |
C4H11NO |
Diethylhydroxylamine |
List all bonds |
Experimental data |
C5H12O |
1-Butanol, 2-methyl- |
List all bonds |
Experimental data |
C5H12O |
1-Butanol, 3-methyl- |
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Experimental data |
C5H12O |
1-Pentanol |
List all bonds |
Experimental data |
C5H12O |
2-Butanol, 3-methyl- |
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Experimental data |
C5H12O |
2-Pentanol |
List all bonds |
Experimental data |
C5H12O |
3-Pentanol |
List all bonds |
Experimental data |
C5H12O |
Butane, 1-methoxy- |
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Experimental data |
C5H12O |
Propane, 1-ethoxy- |
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Experimental data |
C5H12O |
Propane, 2-methoxy-2-methyl- |
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Experimental data |
C5H12S |
1-Butanethiol, 2-methyl- |
List all bonds |
Experimental data |
C5H12S |
1-Butanethiol, 3-methyl- |
List all bonds |
Experimental data |
C5H12S |
1-Pentanethiol |
List all bonds |
Experimental data |
C5H12S |
1-Propanethiol, 2,2-dimethyl- |
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Experimental data |
C5H12S |
2-Butanethiol, 2-methyl- |
List all bonds |
Experimental data |
C5H12S |
2-Butanethiol, 3-methyl- |
List all bonds |
Experimental data |
C5H12S |
Butane, 1-(methylthio)- |
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Experimental data |
C5H12S |
Ethyl propyl sulfide |
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Experimental data |
C5H12S |
Propane, 2-(ethylthio)- |
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Experimental data |
C5H12S |
Propane, 2-methyl-2-(methylthio)- |
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Experimental data |
CF3CHO |
trifluoroacetaldehyde |
List all bonds |
Experimental data |
CCl3CHO |
trichloroacetaldehyde |
List all bonds |
Experimental data |
CHFClCHClF |
ethane, 1,2-dichloro-1,2-difluoro- |
List all bonds |
Experimental data |
CF3CH2F |
1,1,1,2-tetrafluoroethane |
List all bonds |
Experimental data |
CHF2CHF2 |
1,1,2,2-tetrafluoroethane |
List all bonds |
Experimental data |
CF3CH2Cl |
2,2,2-Trifluoroethyl chloride |
List all bonds |
Experimental data |
CHFClCHFCl |
1,2-dichloro-1,2-difluoroethane RR |
List all bonds |
Experimental data |
CHCl2CHCl2 |
Ethane, 1,1,2,2-tetrachloro- |
List all bonds |
Experimental data |
CH2BrCBr3 |
1,1,1,2-tetrabromo ethane |
List all bonds |
Experimental data |
CHCl2CHF2 |
1,1-dichloro-2,2-difluoroethane |
List all bonds |
Experimental data |
C4H3ClO |
Furan, 2-chloro |
List all bonds |
Experimental data |
C4H3ClO |
Furan,3-chloro |
List all bonds |
Experimental data |
C3H5ClO2 |
Carbonochloridic acid, ethyl ester |
List all bonds |
Experimental data |
C3H5Cl3 |
Propane, 1,2,3-trichloro- |
List all bonds |
Experimental data |
C4H8Cl2 |
1,4-Dichlorobutane |
List all bonds |
Experimental data |
C4H8Cl2 |
Butane, 1,2-dichloro- |
List all bonds |
Experimental data |
C4H8Cl2 |
Butane, 1,3-dichloro- |
List all bonds |
Experimental data |
C4H8Cl2 |
Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- |
List all bonds |
Experimental data |
C4H8Cl2 |
Butane, 2,3-dichloro-, (r*,s*)- |
List all bonds |
Experimental data |
C4H9ClO |
1-Chloro-2-ethoxyethane |
List all bonds |
Experimental data |
C5H11Cl |
Pentane, 1-chloro- |
List all bonds |
Experimental data |
C4H8O2 |
Butanoic acid |
List all bonds |
Experimental data |
C6H5CH2 |
benzyl radical |
List all bonds |
Experimental data |
C7H7 |
cycloheptatrienyl radical |
List all bonds |
Experimental data |
C7H7+ |
cycloheptatrienyl cation |
List all bonds |
Experimental data |
C6H5CH3 |
toluene |
List all bonds |
Experimental data |
C7H8 |
cycloheptatriene |
List all bonds |
Experimental data |
C7H8 |
Norbornadiene |
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Experimental data |
C7H8 |
Quadricyclane |
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Experimental data |
C7H12 |
Norbornane |
List all bonds |
Experimental data |
C7H14 |
cycloheptane |
List all bonds |
Experimental data |
C7H16 |
2-methylhexane |
List all bonds |
Experimental data |
C7H16 |
3-methylhexane |
List all bonds |
Experimental data |
C7H16 |
heptane |
List all bonds |
Experimental data |
CH(CN)3 |
tricyanomethane |
List all bonds |
Experimental data |
C6H7N |
2-Methylpyridine |
List all bonds |
Experimental data |
C6H5NH2 |
aniline |
List all bonds |
Experimental data |
C6H13N |
2-Methylpiperidine |
List all bonds |
Experimental data |
C6H13N |
cyclohexanamine |
List all bonds |
Experimental data |
C6H15N |
triethylamine |
List all bonds |
Experimental data |
C4H2O3 |
Maleic Anhydride |
List all bonds |
Experimental data |
C5H4O2 |
4-Cyclopentene-1,3-dione |
List all bonds |
Experimental data |
C5H4O2 |
furfural |
List all bonds |
Experimental data |
C6H5O |
phenoxy radical |
List all bonds |
Experimental data |
C5H5NO |
2(1H)-Pyridinone |
List all bonds |
Experimental data |
C5H5NO |
2(3H)-Pyridinone |
List all bonds |
Experimental data |
C5H5NO |
2(5H)-Pyridinone |
List all bonds |
Experimental data |
C5H5NO |
2-Pyridinol |
List all bonds |
Experimental data |
C5H5NO |
3(2H)-Pyridinone |
List all bonds |
Experimental data |
C5H5NO |
3(4H)-Pyridinone |
List all bonds |
Experimental data |
C5H5NO |
3(6H)-Pyridinone |
List all bonds |
Experimental data |
C5H5NO |
3-Pyridinol |
List all bonds |
Experimental data |
C5H5NO |
4(1H)-Pryidinone |
List all bonds |
Experimental data |
C5H5NO |
4(3H)-Pryidinone |
List all bonds |
Experimental data |
C5H5NO |
4-Pyridinol |
List all bonds |
Experimental data |
C6H5OH |
phenol |
List all bonds |
Experimental data |
C6H6O |
2,4-Cyclohexadienone |
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Experimental data |
C6H6O |
2,5-Cyclohexadienone |
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Experimental data |
C6H5SH |
Benzenethiol |
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Experimental data |
HO2CCHNH2CH2OH |
Serine |
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Experimental data |
C5H8O2 |
Acetylacetone |
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Experimental data |
C4H8O2S |
Sulfolane |
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Experimental data |
C7H10 |
Norbornene |
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Experimental data |
CH(C2H3)3 |
trivinyl methane |
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Experimental data |
C6H10O |
cyclohexanone |
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Experimental data |
C6H12O |
hexanal |
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Experimental data |
C6H12O |
Oxepane |
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Experimental data |
C3H7OC3H7 |
di-n-propyl ether |
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Experimental data |
CF3CHF2 |
pentafluoroethane |
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Experimental data |
CF3CHFCl |
1,1,1,2-tetrafluorochloroethane |
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Experimental data |
CF3CHCl2 |
1,1-Dichloro-2,2,2-trifluoroethane |
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Experimental data |
CHCl2CClF2 |
Ethane, 1,2,2-trichloro-1,1-difluoro- |
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Experimental data |
CCl3CHCl2 |
pentachloroethane |
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Experimental data |
C6H5F |
Fluorobenzene |
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Experimental data |
C6H5Cl |
chlorobenzene |
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Experimental data |
C6H5Br |
bromobenzene |
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Experimental data |
C8H6 |
Calicene |
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Experimental data |
C6H5CCH |
phenylacetylene |
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Experimental data |
C8H6 |
benzocyclobutadiene |
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Experimental data |
C8H6 |
Pentalene |
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Experimental data |
C6H5CHCH2 |
Styrene |
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Experimental data |
C8H8 |
cubane |
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Experimental data |
C8H8 |
cyclooctatetraene |
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Experimental data |
C6H5CH2CH3 |
Ethylbenzene |
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Experimental data |
CH3C6H4CH3 |
meta-xylene |
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Experimental data |
CH3C6H4CH3 |
paraxylene |
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Experimental data |
C8H14 |
Bicyclo[2.2.2]octane |
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Experimental data |
C8H16 |
cyclooctane |
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Experimental data |
(CH3)3CC(CH3)3 |
tetramethylbutane |
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Experimental data |
C8H18 |
Octane |
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Experimental data |
C6H5CN |
phenyl cyanide |
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Experimental data |
C6H12N2 |
Triethylenediamine |
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Experimental data |
C6H4O2 |
parabenzoquinone |
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Experimental data |
C4H4N2O2 |
Uracil |
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Experimental data |
C6H5CHO |
benzaldehyde |
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Experimental data |
C6H5OCH3 |
Anisole |
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Experimental data |
C5H9NO2 |
Proline |
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Experimental data |
C6H12O2 |
Methyl pivalate |
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Experimental data |
C6H12O2 |
Hexanoic acid |
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Experimental data |
C6H4F2 |
metadifluorobenzene |
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Experimental data |
C6H4F2 |
orthodifluorobenzene |
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Experimental data |
C6H4F2 |
1,4-difluorobenzene |
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Experimental data |
C6H4Cl2 |
1,2-dichlorobenzene |
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Experimental data |
C6H4Cl2 |
1,3-dichlorobenzene |
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Experimental data |
C6H4Cl2 |
1,4-dichlorobenzene |
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Experimental data |
C6H5NO |
nitrosobenzene |
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Experimental data |
C9H8 |
Indene |
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Experimental data |
C9H8 |
spiro[4.4]nona-1,3,6,8-tetraene |
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Experimental data |
C9H12 |
n-propyl benzene |
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Experimental data |
C9H20 |
Nonane |
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Experimental data |
C5H4N4 |
purine |
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Experimental data |
C8H7N |
Indole |
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Experimental data |
C6H5NO2 |
Nitrobenzene |
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Experimental data |
C6H5COOH |
benzoic acid |
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Experimental data |
CH3COC6H5 |
acetophenone |
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Experimental data |
C6H3F3 |
Benzene trifluoride 123 |
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Experimental data |
C8H18O |
1-Octanol |
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Experimental data |
C10H8 |
Azulene |
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Experimental data |
C10H8 |
naphthalene |
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Experimental data |
C10H10 |
bullvalene |
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Experimental data |
C10H16 |
adamantane |
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Experimental data |
C10H22 |
Decane |
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Experimental data |
Fe(C5H5)2 |
ferrocene |
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Experimental data |
C12H8 |
Acenaphthylene |
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Experimental data |
C12H8 |
biphenylene |
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Experimental data |
C12H10 |
biphenyl |
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Experimental data |
C12H10 |
Heptalene |
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Experimental data |
C6H12O6 |
Inositol |
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Experimental data |
C13H10 |
Fluorene |
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Experimental data |
C14H10 |
Anthracene |
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Experimental data |
C14H10 |
Phenanthrene |
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Experimental data |
C14H14 |
Bibenzyl |
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Experimental data |
C12H10N2 |
azobenzene |
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Experimental data |
C6H5COC6H5 |
benzophenone |
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Experimental data |
C16H10 |
Pyrene |
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Experimental data |
C18H12 |
Tetracene |
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Experimental data |
C19H16 |
Triphenylmethane |
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Experimental data |
C24H12 |
Coronene |
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Experimental data |