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Quetiapine
SpectraBase Compound ID 9UhTCpgtNqy
InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
InChIKey URKOMYMAXPYINW-UHFFFAOYSA-N
Mol Weight 383.51 g/mol
Molecular Formula C21H25N3O2S
Exact Mass 383.166748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GgiDmGPcBn
Name Quetiapine
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Formula C21H25N3O2S
InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
InChIKey URKOMYMAXPYINW-UHFFFAOYSA-N
SMILES OCCOCCN1CCN(C=2c3c(Sc4c(cccc4)N2)cccc3)CC1
SPLASH splash10-08fv-4690000000-ed5f8fe6c0e17909378f
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences