| SpectraBase Spectrum ID |
8K6BmcSWCDg |
| Name |
S-Methyl-4-methylthiothio benzoate |
| Classification |
Chemical |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
198.017307289 u |
| Formula |
C9H10OS2 |
| InChI |
InChI=1S/C9H10OS2/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3 |
| InChIKey |
RSEDEENMDUQUCB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
198.298 g/mol |
| Nominal Mass |
198 u |
| Quality |
980 |
| Retention Index |
1763 |
| SMILES |
C=1(C(SC)=O)C=CC(=CC1)SC |
| SPLASH |
splash10-0udj-9500000000-30c587f71bea99921b9e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
S-methyl 4-methylthiobenzene-1-carbothioate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004487 |
