SpectraBase Spectrum ID |
GYo6vGOUCfI |
Name |
2-Thiophenecarboxylic acid |
CAS Registry Number |
527-72-0 |
Classification |
Chemical |
Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
127.993200541 u |
Formula |
C5H4O2S |
InChI |
InChI=1S/C5H4O2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7) |
InChIKey |
QERYCTSHXKAMIS-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
128.145 g/mol |
Nominal Mass |
128 u |
Quality |
997 |
Retention Index |
1535 |
SMILES |
OC(C=1SC=CC1)=O |
SPLASH |
splash10-03fr-4900000000-da472fccee6dc3f4756a |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
thiophene-2-carboxylic acid |
Technique |
GC/MS |
Wiley ID |
DD2024_032164 |