| SpectraBase Spectrum ID |
DnyaWYWf41w |
| Name |
3-Thiopheneacetic acid |
| CAS Registry Number |
6964-21-2 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
142.008850605 u |
| Formula |
C6H6O2S |
| InChI |
InChI=1S/C6H6O2S/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8) |
| InChIKey |
RCNOGGGBSSVMAS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
142.172 g/mol |
| Nominal Mass |
142 u |
| Quality |
998 |
| Retention Index |
975 |
| SMILES |
OC(CC1=CSC=C1)=O |
| SPLASH |
splash10-0002-9200000000-79fd1b63dace438f3c30 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_028721 |
