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Clopenthixol-M (dealkyl-) AC         @
SpectraBase Compound ID HLbbtsWBO0n
InChI InChI=1S/C22H23ClN2OS/c1-16(26)25-13-11-24(12-14-25)10-4-6-18-19-5-2-3-7-21(19)27-22-9-8-17(23)15-20(18)22/h2-3,5-9,15H,4,10-14H2,1H3/b18-6-
InChIKey XMQYFNZJUGLJQL-FXBPXSCXSA-N
Mol Weight 398.95 g/mol
Molecular Formula C22H23ClN2OS
Exact Mass 398.121962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FsOzRBRgmgo
Name Clopenthixol-M (dealkyl-) AC @
Classification Neuroleptic
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Exact Mass 398.121962242 u
Formula C22H23ClN2OS
InChI InChI=1S/C22H23ClN2OS/c1-16(26)25-13-11-24(12-14-25)10-4-6-18-19-5-2-3-7-21(19)27-22-9-8-17(23)15-20(18)22/h2-3,5-9,15H,4,10-14H2,1H3/b18-6-
InChIKey XMQYFNZJUGLJQL-FXBPXSCXSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 398.952 g/mol
SMILES CC(N1CCN(CC1)CC\C=C/1c2cc(ccc2Sc2c1cccc2)Cl)=O
SPLASH splash10-0006-7930000000-068975283ceccfc4d5fe
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Zuclopenthixol-M (dealkyl-) AC
Technique GC/MS
Wiley ID MMPW6e_1261