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N-3-Bromobenzyl-N-4-chlorophenyl-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine
SpectraBase Compound ID 201MMQ1Oawy
InChI InChI=1S/C26H27BrClFN2/c27-22-3-1-2-21(18-22)19-31(25-10-6-23(28)7-11-25)26-13-16-30(17-14-26)15-12-20-4-8-24(29)9-5-20/h1-11,18,26H,12-17,19H2
InChIKey XEFSGKJMRDCZPM-UHFFFAOYSA-N
Mol Weight 501.87 g/mol
Molecular Formula C26H27BrClFN2
Exact Mass 500.103018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JXCnw6qiy8
Name N-3-Bromobenzyl-N-4-chlorophenyl-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine
Classification Fentalogue
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 500.103017740 u
Formula C26H27BrClFN2
InChI InChI=1S/C26H27BrClFN2/c27-22-3-1-2-21(18-22)19-31(25-10-6-23(28)7-11-25)26-13-16-30(17-14-26)15-12-20-4-8-24(29)9-5-20/h1-11,18,26H,12-17,19H2
InChIKey XEFSGKJMRDCZPM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 501.871 g/mol
Nominal Mass 500 u
Quality 993
Retention Index 3596
SMILES C1(N(C=2C=CC(=CC2)Cl)CC=2C=C(C=CC2)Br)CCN(CC1)CCC=1C=CC(=CC1)F
SPLASH splash10-006w-7914000000-3db9112ec3113b1f5cd0
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+(3-bromobenzyl)-phenyl+(4-chlorophenyl)-phenethyl+[2-(4-fluorophenylethyl)])
Technique GC/MS
Wiley ID DD2024_031122