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1-Butanone, 1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]-
SpectraBase Compound ID IWZAO81wDOo
InChI InChI=1S/C22H23F4NO2/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26/h1,3-4,6-9,15,29H,2,5,10-14H2
InChIKey GPMXUUPHFNMNDH-UHFFFAOYSA-N
Mol Weight 409.42 g/mol
Molecular Formula C22H23F4NO2
Exact Mass 409.166492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GjjiC2NjJwe
Name Trifluperidol
CAS Registry Number 749-13-3
Classification Neuroleptic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 409.166491635 u
Formula C22H23F4NO2
InChI InChI=1S/C22H23F4NO2/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26/h1,3-4,6-9,15,29H,2,5,10-14H2
InChIKey GPMXUUPHFNMNDH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 409.425 g/mol
SMILES C(CCC(=O)c1ccc(cc1)F)N1CCC(CC1)(c1cc(C(F)(F)F)ccc1)O
SPLASH splash10-05fr-6590000000-96d7d66fa51ecb279811
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: G
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_637