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Homofenazine
SpectraBase Compound ID 2CKGFlMgQ3Y
InChI InChI=1S/C23H28F3N3OS/c24-23(25,26)18-7-8-22-20(17-18)29(19-5-1-2-6-21(19)31-22)12-4-11-27-9-3-10-28(14-13-27)15-16-30/h1-2,5-8,17,30H,3-4,9-16H2
InChIKey LOHNHQLZFYCAEQ-UHFFFAOYSA-N
Mol Weight 451.55 g/mol
Molecular Formula C23H28F3N3OS
Exact Mass 451.190518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MQhhZl3aa
Name Homofenazine
CAS Registry Number 3833-99-6
Classification Pharmaceutical drug, anxiolytic, antipsychotic
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 451.190518196 u
Formula C23H28F3N3OS
InChI InChI=1S/C23H28F3N3OS/c24-23(25,26)18-7-8-22-20(17-18)29(19-5-1-2-6-21(19)31-22)12-4-11-27-9-3-10-28(14-13-27)15-16-30/h1-2,5-8,17,30H,3-4,9-16H2
InChIKey LOHNHQLZFYCAEQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 451.552 g/mol
Nominal Mass 451 u
Quality 921
Retention Index 3501
SMILES OCCN1CCN(CCCN2C3=C(SC=4C2=CC=CC4)C=CC(=C3)C(F)(F)F)CCC1
SPLASH splash10-05o3-9420000000-c661fcabc4740a4d602b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-[4-[3-[2-(Trifluoromethyl)phenothiazin-10-yl]propyl]-1,4-diazepan-1-yl]ethanol
Technique GC/MS
Wiley ID DD2024_001620