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N-Desmethylchlorprothixene

View entire compound with spectra: 1 MS (GC)

N-Desmethylchlorprothixene
SpectraBase Compound ID Dcksh50MMQf
InChI InChI=1S/C17H16ClNS/c1-19-10-4-6-13-14-5-2-3-7-16(14)20-17-9-8-12(18)11-15(13)17/h2-3,5-9,11,19H,4,10H2,1H3/b13-6+
InChIKey MFNIWJBWDRDXPK-AWNIVKPZSA-N
Mol Weight 301.83 g/mol
Molecular Formula C17H16ClNS
Exact Mass 301.069198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9OCtB4RYM0j
Name N-Desmethylchlorprothixene
Alternate Name(s) (3E)-3-(2-chloro-10H-dibenzo[b,e]thiopyran-10-ylidene)-N-methyl-1-propanamine N-[(3E)-3-(2-chloro-10H-dibenzo[b,e]thiopyran-10-ylidene)propyl]-N-methylamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16ClNS
InChI InChI=1S/C17H16ClNS/c1-19-10-4-6-13-14-5-2-3-7-16(14)20-17-9-8-12(18)11-15(13)17/h2-3,5-9,11,19H,4,10H2,1H3/b13-6+
InChIKey MFNIWJBWDRDXPK-AWNIVKPZSA-N
Molecular Weight 301.835 g/mol
SMILES N(CC\C=C\1c2c(ccc(c2)Cl)Sc2c1cccc2)C
SPLASH splash10-0006-9030000000-118d4af217538dad10e3
Source of Spectrum CJ-1985-9-0
Wiley ID 1303814