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N-(3-Methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]-4-butylbenzamide
SpectraBase Compound ID 6CCfknC72dO
InChI InChI=1S/C31H38N2O/c1-3-4-10-27-14-16-28(17-15-27)31(34)33(30-13-8-9-25(2)24-30)29-19-22-32(23-20-29)21-18-26-11-6-5-7-12-26/h5-9,11-17,24,29H,3-4,10,18-23H2,1-2H3
InChIKey ALZSGLHHJDYRBM-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 JHO9VUVVCoy
Name N-(3-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/c1-3-4-10-27-14-16-28(17-15-27)31(34)33(30-13-8-9-25(2)24-30)29-19-22-32(23-20-29)21-18-26-11-6-5-7-12-26/h5-9,11-17,24,29H,3-4,10,18-23H2,1-2H3
InChIKey ALZSGLHHJDYRBM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 454.658 g/mol
Nominal Mass 454 u
Quality 997
Retention Index 3557
SMILES C(N(C1CCN(CC1)CCC=1C=CC=CC1)C1=CC(=CC=C1)C)(C=1C=CC(=CC1)CCCC)=O
SPLASH splash10-03di-2901000000-79cf05c0b8c3d9bde749
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+(4-butylbenzoyl)-phenyl+(3-methylphenyl)) 4-Butyl-N-(3-methylphenyl)-N-(1-(2-phenylethyl)piperidin-4-yl)benzamide
Technique GC/MS
Wiley ID DD2024_025329