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N-(3-Bromobenzyl)-N-phenyl-1-(1-phenylpropan-1-yl)piperidin-4-amine
SpectraBase Compound ID 9n51wnspgqQ
InChI InChI=1S/C27H31BrN2/c1-2-27(23-11-5-3-6-12-23)29-18-16-26(17-19-29)30(25-14-7-4-8-15-25)21-22-10-9-13-24(28)20-22/h3-15,20,26-27H,2,16-19,21H2,1H3
InChIKey BUKMGKRCECGYDO-UHFFFAOYSA-N
Mol Weight 463.46 g/mol
Molecular Formula C27H31BrN2
Exact Mass 462.167062 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J4HiniorboB
Name N-(3-Bromobenzyl)-N-phenyl-1-(1-phenylpropan-1-yl)piperidin-4-amine
Classification Fentalogue
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 462.167062006 u
Formula C27H31BrN2
InChI InChI=1S/C27H31BrN2/c1-2-27(23-11-5-3-6-12-23)29-18-16-26(17-19-29)30(25-14-7-4-8-15-25)21-22-10-9-13-24(28)20-22/h3-15,20,26-27H,2,16-19,21H2,1H3
InChIKey BUKMGKRCECGYDO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 463.463 g/mol
Nominal Mass 462 u
Quality 953
Retention Index 3447
SMILES C1(N(C=2C=CC=CC2)CC2=CC(=CC=C2)Br)CCN(C(C=2C=CC=CC2)CC)CC1
SPLASH splash10-00di-4931000000-a1040720364c2fc296d7
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+3-bromobenzyl-phenethyl+1-phenylpropan-1-yl) N-m-Bromobenzyl-N-phenyl-1-(1-phenylpropan-1-yl)piperidin-4-amine
Technique GC/MS
Wiley ID DD2024_026792