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Quetiapine TMS
SpectraBase Compound ID CuXxSETA1aU
InChI InChI=1S/C24H33N3O2SSi/c1-31(2,3)29-19-18-28-17-16-26-12-14-27(15-13-26)24-20-8-4-6-10-22(20)30-23-11-7-5-9-21(23)25-24/h4-11H,12-19H2,1-3H3
InChIKey HEKVRGURHOROPQ-UHFFFAOYSA-N
Mol Weight 455.7 g/mol
Molecular Formula C24H33N3O2SSi
Exact Mass 455.206275 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9dWrwPEBOm
Name Quetiapine TMS
Classification Pharmaceutical drug derivative
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 455.206275022 u
Formula C24H33N3O2SSi
InChI InChI=1S/C24H33N3O2SSi/c1-31(2,3)29-19-18-28-17-16-26-12-14-27(15-13-26)24-20-8-4-6-10-22(20)30-23-11-7-5-9-21(23)25-24/h4-11H,12-19H2,1-3H3
InChIKey HEKVRGURHOROPQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 455.692 g/mol
Nominal Mass 455 u
Quality 996
Retention Index 3304
SMILES C=1(C2=C(SC=3C(N1)=CC=CC3)C=CC=C2)N1CCN(CC1)CCOCCO[Si](C)(C)C
SPLASH splash10-03k9-6491000000-f205d3e65c7fd26639a3
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 11-(4-(2-(2-((trimethylsilyl)oxy)ethoxy)ethyl)piperazin-1-yl)dibenzo[b,f][1,4]thiazepine
Technique GC/MS
Wiley ID DD2024_023415