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Flupentixol AC

View entire compound with spectra: 2 MS (GC)

Flupentixol AC
SpectraBase Compound ID JpzNhYwX197
InChI InChI=1S/C25H27F3N2O2S/c1-18(31)32-16-15-30-13-11-29(12-14-30)10-4-6-20-21-5-2-3-7-23(21)33-24-9-8-19(17-22(20)24)25(26,27)28/h2-3,5-9,17H,4,10-16H2,1H3/b20-6+
InChIKey LIMWKBFFZAAUHI-CGOBSMCZSA-N
Mol Weight 476.56 g/mol
Molecular Formula C25H27F3N2O2S
Exact Mass 476.174534 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3RsGK2LOh41
Name Flupentixol AC
Classification Neuroleptic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 476.174533778 u
Formula C25H27F3N2O2S
InChI InChI=1S/C25H27F3N2O2S/c1-18(31)32-16-15-30-13-11-29(12-14-30)10-4-6-20-21-5-2-3-7-23(21)33-24-9-8-19(17-22(20)24)25(26,27)28/h2-3,5-9,17H,4,10-16H2,1H3/b20-6+
InChIKey LIMWKBFFZAAUHI-CGOBSMCZSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 476.558 g/mol
SMILES CC(OCCN1CCN(CC1)CC\C=C/1c2ccccc2Sc2ccc(cc12)C(F)(F)F)=O
SPLASH splash10-000i-4930000000-0f7fbcd756955dc65b6c
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_1315