SpectraBase Spectrum ID |
Dn2Lsbb3kFE |
Name |
Chlorprothixene-M (Bisnor) 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 |
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 |
916 |
Retention Index |
2480 |
SMILES |
C1=2\C(C=3C(SC2C=CC(=C1)Cl)=CC=CC3)=C/CCNC(=O)C |
SPLASH |
splash10-00di-0090000000-c6bcf4cbe2e8a0f7dc21 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
N-3-[(2-chloro-9H-thioxanthen-9-ylidene)propyl]acetamide |
Technique |
GC/MS |
Wiley ID |
DD2024_000667 |