| SpectraBase Spectrum ID |
2mhjblr7xwG |
| Name |
Methyl-2-thiophene carboxylate |
| CAS Registry Number |
5380-42-7 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (three 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/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3 |
| InChIKey |
PGBFYLVIMDQYMS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
142.172 g/mol |
| Nominal Mass |
142 u |
| Quality |
951 |
| Retention Index |
975 |
| SMILES |
C=1(C(OC)=O)SC=CC1 |
| SPLASH |
splash10-03di-4900000000-7eb1683e7b5f726b02fd |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_028720 |
