| SpectraBase Spectrum ID |
8Hb09xkM2G8 |
| Name |
Clomethiazole |
| CAS Registry Number |
533-45-9 |
| Classification |
Pharmaceutical drug, hypnotic sedative |
| 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 |
161.006598136 u |
| Formula |
C6H8ClNS |
| InChI |
InChI=1S/C6H8ClNS/c1-5-6(2-3-7)9-4-8-5/h4H,2-3H2,1H3 |
| InChIKey |
PCLITLDOTJTVDJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
161.650 g/mol |
| Nominal Mass |
161 u |
| Quality |
980 |
| Retention Index |
1230 |
| SMILES |
C1(=C(N=CS1)C)CCCl |
| SPLASH |
splash10-03di-7900000000-8b2d8c79b7ec19bf7b9b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Chlormethiazole
5-(2-Chloroethyl)-4-methyl-1,3-thiazole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022717 |
