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N-(4-Bromobenzyl)-N-(4-chlorophenyl)-1-[(2-thiophen-2-yl)ethyl]-piperidin-4-amine
SpectraBase Compound ID IBIdCxXX6JA
InChI InChI=1S/C24H26BrClN2S/c25-20-5-3-19(4-6-20)18-28(22-9-7-21(26)8-10-22)23-11-14-27(15-12-23)16-13-24-2-1-17-29-24/h1-10,17,23H,11-16,18H2
InChIKey SJVGQZKYVCVEKQ-UHFFFAOYSA-N
Mol Weight 489.9 g/mol
Molecular Formula C24H26BrClN2S
Exact Mass 488.068861 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dm4henN0uDg
Name N-(4-Bromobenzyl)-N-(4-chlorophenyl)-1-[(2-thiophen-2-yl)ethyl]-piperidin-4-amine
Classification Fentalogue
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 488.068860719 u
Formula C24H26BrClN2S
InChI InChI=1S/C24H26BrClN2S/c25-20-5-3-19(4-6-20)18-28(22-9-7-21(26)8-10-22)23-11-14-27(15-12-23)16-13-24-2-1-17-29-24/h1-10,17,23H,11-16,18H2
InChIKey SJVGQZKYVCVEKQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 489.903 g/mol
Nominal Mass 488 u
Quality 936
Retention Index 3506
SMILES C1(N(C=2C=CC(=CC2)Cl)CC=2C=CC(=CC2)Br)CCN(CC1)CCC=1SC=CC1
SPLASH splash10-006y-7509000000-4edfe1183b6ec2d378b5
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+4-bromobenzyl-phenyl+4-chlorophenyl-phenethyl+(thiophen-2-yl-ethyl)) N-p-Bromobenzyl-N-(4-chlorophenyl)-1-[(2-thiophen-2-yl)ethyl]-piperidin-4-amine
Technique GC/MS
Wiley ID DD2024_026825