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Chlorprothixene-M (-HN(CH3)2,Sulfoxide)
SpectraBase Compound ID HsCj1DEK2xL
InChI InChI=1S/C16H11ClOS/c1-2-5-12-13-6-3-4-7-15(13)19(18)16-9-8-11(17)10-14(12)16/h2-10H,1H2/b12-5+
InChIKey ZMVOIUNYSJTANQ-LFYBBSHMSA-N
Mol Weight 286.78 g/mol
Molecular Formula C16H11ClOS
Exact Mass 286.021914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JAL1RYNA4O
Name Chlorprothixene-M (-HN(CH3)2,Sulfoxide)
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 286.021913847 u
Formula C16H11ClOS
InChI InChI=1S/C16H11ClOS/c1-2-5-12-13-6-3-4-7-15(13)19(18)16-9-8-11(17)10-14(12)16/h2-10H,1H2/b12-5+
InChIKey ZMVOIUNYSJTANQ-LFYBBSHMSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 286.776 g/mol
Nominal Mass 286 u
Quality 891
Retention Index 2070
SMILES C=12\C(C3=C(S(C2=CC=C(C1)Cl)=O)C=CC=C3)=C\C=C
SPLASH splash10-0udi-1390000000-925a2c69755072eb5693
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (9E)-2-chloro-9-(prop-2-en-1-ylidene)-10lambda4-thioxanthen-10(9H)-one
Technique GC/MS
Wiley ID DD2024_006195