| SpectraBase Spectrum ID |
2n44DbRelDE |
| Name |
3-Thiophenecarboxylic acid |
| CAS Registry Number |
88-13-1 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (four 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)4-1-2-8-3-4/h1-3H,(H,6,7) |
| InChIKey |
YNVOMSDITJMNET-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
128.145 g/mol |
| Nominal Mass |
128 u |
| Quality |
985 |
| Retention Index |
1180 |
| SMILES |
OC(C=1C=CSC1)=O |
| SPLASH |
splash10-03fr-3900000000-bbdd257f672951ae4eff |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_030451 |
