| SpectraBase Spectrum ID |
JFxJfVBfQLw |
| Name |
Clomethiazole-M (1-OH) AC |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
219.012077438 u |
| Formula |
C8H10ClNO2S |
| InChI |
InChI=1S/C8H10ClNO2S/c1-5-8(13-4-10-5)7(3-9)12-6(2)11/h4,7H,3H2,1-2H3 |
| InChIKey |
MLLKFDTTZKRSAQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
219.686 g/mol |
| Nominal Mass |
219 u |
| Quality |
872 |
| Retention Index |
1537 |
| SMILES |
C1(C(OC(=O)C)CCl)=C(N=CS1)C |
| SPLASH |
splash10-004l-2900000000-90c167d0ecb856221668 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000733 |
