| SpectraBase Spectrum ID |
3AYlMrLQkgL |
| Name |
Clomethiazole-M (-Cl,OH) AC |
| CAS Registry Number |
94021-41-7 |
| Classification |
Pharmaceutical drug metabolite derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
185.051049770 u |
| Formula |
C8H11NO2S |
| InChI |
InChI=1S/C8H11NO2S/c1-6-8(12-5-9-6)3-4-11-7(2)10/h5H,3-4H2,1-2H3 |
| InChIKey |
CRTCWNPLKVVXIX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
185.241 g/mol |
| Nominal Mass |
185 u |
| Quality |
995 |
| Retention Index |
1346 |
| SMILES |
C1(=C(N=CS1)C)CCOC(=O)C |
| SPLASH |
splash10-002f-9500000000-ecd8664c64c66115a413 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Hemineurine AC
MHT AC
Sulfurol AC
5-Methyl-4-thiazoleethanol acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000732 |
