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Penfluridol
SpectraBase Compound ID Kb0MwpjxOe4
InChI InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2
InChIKey MDLAAYDRRZXJIF-UHFFFAOYSA-N
Mol Weight 523.98 g/mol
Molecular Formula C28H27ClF5NO
Exact Mass 523.170133 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BIoyHuBtgay
Name Penfluridol
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Formula C28H27ClF5NO
InChI InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2
InChIKey MDLAAYDRRZXJIF-UHFFFAOYSA-N
SMILES C(F)(F)(F)c1c(ccc(C2(CCN(CCCC(c3ccc(cc3)F)c3ccc(cc3)F)CC2)O)c1)Cl
SPLASH splash10-0006-2290000000-f6709e6616d3bcd182ce
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences