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7-Hydroxyquetiapine
SpectraBase Compound ID 1sZ76ATD1ru
InChI InChI=1S/C21H25N3O3S/c25-12-14-27-13-11-23-7-9-24(10-8-23)21-17-3-1-2-4-19(17)28-20-15-16(26)5-6-18(20)22-21/h1-6,15,25-26H,7-14H2
InChIKey VEGVCHRFYPFJFO-UHFFFAOYSA-N
Mol Weight 399.51 g/mol
Molecular Formula C21H25N3O3S
Exact Mass 399.161663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CzwrZAEEK64
Name 7-Hydroxyquetiapine
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Formula C21H25N3O3S
InChI InChI=1S/C21H25N3O3S/c25-12-14-27-13-11-23-7-9-24(10-8-23)21-17-3-1-2-4-19(17)28-20-15-16(26)5-6-18(20)22-21/h1-6,15,25-26H,7-14H2
InChIKey VEGVCHRFYPFJFO-UHFFFAOYSA-N
SMILES OCCOCCN1CCN(C2=Nc3ccc(cc3Sc3ccccc23)O)CC1
SPLASH splash10-054o-8980000000-e1378350ff5feded8b53
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences