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Zuclopenthixol TMS                 @
SpectraBase Compound ID 8qUA5dwLYq6
InChI InChI=1S/C25H33ClN2OSSi/c1-31(2,3)29-18-17-28-15-13-27(14-16-28)12-6-8-21-22-7-4-5-9-24(22)30-25-11-10-20(26)19-23(21)25/h4-5,7-11,19H,6,12-18H2,1-3H3/b21-8+
InChIKey KTBLRMSCTVEYIN-ODCIPOBUSA-N
Mol Weight 473.2 g/mol
Molecular Formula C25H33ClN2OSSi
Exact Mass 472.177139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LOytIR0kPwe
Name Zuclopenthixol TMS @
Classification Neuroleptic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 472.177139099 u
Formula C25H33ClN2OSSi
InChI InChI=1S/C25H33ClN2OSSi/c1-31(2,3)29-18-17-28-15-13-27(14-16-28)12-6-8-21-22-7-4-5-9-24(22)30-25-11-10-20(26)19-23(21)25/h4-5,7-11,19H,6,12-18H2,1-3H3/b21-8+
InChIKey KTBLRMSCTVEYIN-ODCIPOBUSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 473.150 g/mol
SMILES c12\C(c3c(Sc2cccc1)ccc(c3)Cl)=C/CCN1CCN(CCO[Si](C)(C)C)CC1
SPLASH splash10-014i-3190000000-e83fb11d93318a7f27dd
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.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Clopenthixol (cis) TMS
Technique GC/MS
Wiley ID MMPW6e_4534