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Chlorprothixene-m (bisnor) ac

View entire compound with spectra: 1 FTIR, and 3 MS (GC)

Chlorprothixene-m (bisnor) ac
SpectraBase Compound ID B1DQEF1oGrW
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
Mol Weight 329.85 g/mol
Molecular Formula C18H16ClNOS
Exact Mass 329.064113 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HFToTEpSaP7
Name Chlorprothixene-m (bisnor) ac
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. 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
Molecular Weight 329.845 g/mol
SMILES C1=2\C(C=3C(SC2C=CC(=C1)Cl)=CC=CC3)=C/CCNC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.871706