| SpectraBase Spectrum ID |
DkZpQ4mmUIi |
| Name |
Clomethiazole-M (-Cl,COOH) ME |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
171.035399706 u |
| Formula |
C7H9NO2S |
| InChI |
InChI=1S/C7H9NO2S/c1-5-6(11-4-8-5)3-7(9)10-2/h4H,3H2,1-2H3 |
| InChIKey |
WQYUGFQXZGZRSD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
171.214 g/mol |
| Nominal Mass |
171 u |
| Quality |
826 |
| Retention Index |
1246 |
| SMILES |
C1(=C(N=CS1)C)CC(OC)=O |
| SPLASH |
splash10-03k9-5900000000-11ca77e2b783db1e2739 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl (4-methyl-1,3-thiazol-5-yl)acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000731 |
