SpectraBase Spectrum ID |
8H0DnU7MRaS |
Name |
2-Thiopheneacetic acid |
CAS Registry Number |
1918-77-0 |
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 |
142.008850605 u |
Formula |
C6H6O2S |
InChI |
InChI=1S/C6H6O2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8) |
InChIKey |
SMJRBWINMFUUDS-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
142.172 g/mol |
Nominal Mass |
142 u |
Quality |
998 |
Retention Index |
975 |
SMILES |
OC(CC=1SC=CC1)=O |
SPLASH |
splash10-0002-9200000000-0e6c727077efcbee3b91 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Technique |
GC/MS |
Wiley ID |
DD2024_028719 |