| SpectraBase Spectrum ID |
5ZN04paKy7U |
| Name |
Chlorprothixene-M (Bisnor) AC |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by crosschecking against external libraries (one 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 |
329.064113012 u |
| Formula |
C18H16ClNOS |
| InChI |
InChI=1S/C18H16ClNOS/c1-12(21)20-10-4-6-14-15-5-2-3-7-17(15)22-18-9-8-13(19)11-16(14)18/h2-3,5-9,11H,4,10H2,1H3,(H,20,21)/b14-6- |
| InChIKey |
IDQBOOJPVLAYIE-NSIKDUERSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
329.845 g/mol |
| Nominal Mass |
329 u |
| Quality |
914 |
| Retention Index |
2480 |
| SMILES |
C1=2\C(C=3C(SC2C=CC(=C1)Cl)=CC=CC3)=C/CCNC(=O)C |
| SPLASH |
splash10-00di-0190000000-a85ce89df71799b4f91f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-3-[(2-chloro-9H-thioxanthen-9-ylidene)propyl]acetamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006192 |
