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N-(3-Fluoromethylbenzyl)-N-(4-methylphenyl)-1-(2-phenylethyl)piperidin-4-amine
SpectraBase Compound ID 6Vc0X2VbynH
InChI InChI=1S/C28H31F3N2/c1-22-10-12-26(13-11-22)33(21-24-8-5-9-25(20-24)28(29,30)31)27-15-18-32(19-16-27)17-14-23-6-3-2-4-7-23/h2-13,20,27H,14-19,21H2,1H3
InChIKey MYPLOVOTALBFOG-UHFFFAOYSA-N
Mol Weight 452.57 g/mol
Molecular Formula C28H31F3N2
Exact Mass 452.243933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkGM9OGaf0y
Name N-(3-Fluoromethylbenzyl)-N-(4-methylphenyl)-1-(2-phenylethyl)piperidin-4-amine
Classification Fentanyl opioid
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 452.243933495 u
Formula C28H31F3N2
InChI InChI=1S/C28H31F3N2/c1-22-10-12-26(13-11-22)33(21-24-8-5-9-25(20-24)28(29,30)31)27-15-18-32(19-16-27)17-14-23-6-3-2-4-7-23/h2-13,20,27H,14-19,21H2,1H3
InChIKey MYPLOVOTALBFOG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 452.565 g/mol
Nominal Mass 452 u
Quality 999
Retention Index 3039
SMILES C1(N(C2=CC=C(C=C2)C)CC2=CC(C(F)(F)F)=CC=C2)CCN(CC1)CCC=1C=CC=CC1
SPLASH splash10-01ot-9816000000-02f880753879bf6208ce
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+(3-trifluorobenzyl)-phenyl+(4-methylphenyl)) N-(4-Methylphenyl)-1-(2-phenylethyl)-N-(3-(trifluoromethyl)benzyl)piperidin-4-amine
Technique GC/MS
Wiley ID DD2024_025179