| SpectraBase Spectrum ID |
8GAfXj2k9Gi |
| Name |
Clomethiazole-M (2-OH) AC |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
219.012077438 u |
| Formula |
C8H10ClNO2S |
| InChI |
InChI=1S/C8H10ClNO2S/c1-5-7(3-4-9)13-8(10-5)12-6(2)11/h3-4H2,1-2H3 |
| InChIKey |
YUSNWXDTCPEZHY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
219.686 g/mol |
| Nominal Mass |
219 u |
| Quality |
847 |
| Retention Index |
1537 |
| SMILES |
C=1(SC(=C(N1)C)CCCl)OC(=O)C |
| SPLASH |
splash10-004i-1900000000-7272dee50790189869de |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-(2-chloroethyl)-4-methyl-1,3-thiazol-2-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000735 |
