| SpectraBase Spectrum ID |
8HFZMMY14ZU |
| Name |
Clomethiazole-M (-Cl,OH) |
| CAS Registry Number |
137-00-8 |
| Classification |
Pharmaceutical drug metabolite, flavor |
| Comments |
Spectrum verified by crosschecking against external libraries (five 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 |
143.040485087 u |
| Formula |
C6H9NOS |
| InChI |
InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3 |
| InChIKey |
BKAWJIRCKVUVED-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
143.204 g/mol |
| Nominal Mass |
143 u |
| Quality |
991 |
| Retention Index |
1241 |
| SMILES |
OCCC1=C(N=CS1)C |
| SPLASH |
splash10-03di-6900000000-ccd9012454c0685ea317 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Hemineurine
MHT
Sulfurol
Thiamine-A
4-Methyl-5-(2-hydroxyethyl)thiazole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019246 |
