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Chlorprothixene-M (Nor,-OH) AC
SpectraBase Compound ID 7caGBXXlOIi
InChI InChI=1S/C19H18ClNO2S/c1-12(22)21(2)10-4-5-14-15-11-13(20)8-9-17(15)24-18-7-3-6-16(23)19(14)18/h3,5-9,11,23H,4,10H2,1-2H3/b14-5+
InChIKey VELJTWLHLHTZLB-LHHJGKSTSA-N
Mol Weight 359.87 g/mol
Molecular Formula C19H18ClNO2S
Exact Mass 359.074678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGziwARKZLE
Name Chlorprothixene-M (Nor,-OH) AC
Classification Pharmaceutical drug artifact derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 359.074677696 u
Formula C19H18ClNO2S
InChI InChI=1S/C19H18ClNO2S/c1-12(22)21(2)10-4-5-14-15-11-13(20)8-9-17(15)24-18-7-3-6-16(23)19(14)18/h3,5-9,11,23H,4,10H2,1-2H3/b14-5+
InChIKey VELJTWLHLHTZLB-LHHJGKSTSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 359.871 g/mol
Nominal Mass 359 u
Quality 918
Retention Index 2651
SMILES OC1=C2\C(C3=C(SC2=CC=C1)C=CC(=C3)Cl)=C\CCN(C(=O)C)C
SPLASH splash10-05fr-1291000000-1c1eb390203a8f2663bb
Sample Comments Acetyl position uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(3-((9E)-7-chloro-1-hydroxy-9H-thioxanthen-9-ylidene)propyl)-N-methylacetamide
Technique GC/MS
Wiley ID DD2024_006231