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lopenthixol TMS
SpectraBase Compound ID KWZE8dZfP5e
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-WNFQYIGGSA-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 8FTKav1elIu
Name lopenthixol TMS
Classification Pharmaceutical drug derivative
Copyright Copyright © 2024 DigiLab GmbH and 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-WNFQYIGGSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 473.150 g/mol
Nominal Mass 472 u
Quality 933
Retention Index 3512
SMILES C1=2\C(C=3C(SC2C=CC(=C1)Cl)=CC=CC3)=C/CCN1CCN(CC1)CCO[Si](C)(C)C
SPLASH splash10-01b9-4290000000-578af2e650ae102b06df
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(3-(-2-Chloro-9H-thioxanthen-9-ylidene)propyl)-4-(2-((trimethylsilyl)oxy)ethyl)piperazine
Technique GC/MS
Wiley ID DD2024_031726