| SpectraBase Spectrum ID |
JEh9Q5yHTOa |
| Name |
Clomethiazole-M (2-OH) |
| CAS Registry Number |
42261-30-3 |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by crosschecking against external libraries (two 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 |
177.001512755 u |
| Formula |
C6H8ClNOS |
| InChI |
InChI=1S/C6H8ClNOS/c1-4-5(2-3-7)10-6(9)8-4/h2-3H2,1H3,(H,8,9) |
| InChIKey |
HJLZTYJNTROXOS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
177.649 g/mol |
| Nominal Mass |
177 u |
| Quality |
833 |
| Retention Index |
1240 |
| SMILES |
OC=1SC(=C(N1)C)CCCl |
| SPLASH |
splash10-004i-3900000000-6c1d3fbc3a077081a083 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Hydroxy-4-methyl-5-chloroethyl-thiazole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000738 |
