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N-(4-Methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]-4-butylbenzamide
SpectraBase Compound ID LxpNtWfusiz
InChI InChI=1S/C31H38N2O/c1-3-4-8-27-13-15-28(16-14-27)31(34)33(29-17-11-25(2)12-18-29)30-20-23-32(24-21-30)22-19-26-9-6-5-7-10-26/h5-7,9-18,30H,3-4,8,19-24H2,1-2H3
InChIKey AKLAETVSKKCRHK-UHFFFAOYSA-N
Mol Weight 454.7 g/mol
Molecular Formula C31H38N2O
Exact Mass 454.298414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mc6metc7Zg
Name N-(4-Methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]-4-butylbenzamide
Classification Fentanyl opioid
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 454.298413851 u
Formula C31H38N2O
InChI InChI=1S/C31H38N2O/c1-3-4-8-27-13-15-28(16-14-27)31(34)33(29-17-11-25(2)12-18-29)30-20-23-32(24-21-30)22-19-26-9-6-5-7-10-26/h5-7,9-18,30H,3-4,8,19-24H2,1-2H3
InChIKey AKLAETVSKKCRHK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 454.658 g/mol
Nominal Mass 454 u
Quality 999
Retention Index 3557
SMILES C(N(C1CCN(CC1)CCC1=CC=CC=C1)C=1C=CC(=CC1)C)(C=1C=CC(=CC1)CCCC)=O
SPLASH splash10-03di-1902000000-f6cb79e43cf7f26c9c06
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+(4-butylbenzoyl)-phenyl+(4-methylphenyl)) 4-Butyl-N-(4-methylphenyl)-N-(1-(2-phenylethyl)piperidin-4-yl)benzamide
Technique GC/MS
Wiley ID DD2024_025205