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N,N-Bis(4-chlorobenzyl)-3-bromophenethylamine
SpectraBase Compound ID LeLT0a1MZAV
InChI InChI=1S/C22H20BrCl2N/c23-20-3-1-2-17(14-20)12-13-26(15-18-4-8-21(24)9-5-18)16-19-6-10-22(25)11-7-19/h1-11,14H,12-13,15-16H2
InChIKey XGVALXKJIKYGPX-UHFFFAOYSA-N
Mol Weight 449.22 g/mol
Molecular Formula C22H20BrCl2N
Exact Mass 447.015618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cl6UKSBOsBi
Name N,N-Bis(4-chlorobenzyl)-3-bromophenethylamine
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 447.015618048 u
Formula C22H20BrCl2N
InChI InChI=1S/C22H20BrCl2N/c23-20-3-1-2-17(14-20)12-13-26(15-18-4-8-21(24)9-5-18)16-19-6-10-22(25)11-7-19/h1-11,14H,12-13,15-16H2
InChIKey XGVALXKJIKYGPX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 449.219 g/mol
Nominal Mass 447 u
Quality 998
Retention Index 3127
SMILES C(N(CC=1C=CC(=CC1)Cl)CCC=1C=C(C=CC1)Br)C=1C=CC(=CC1)Cl
SPLASH splash10-004i-1890000000-71458fa4f51b2fb98b74
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N,N-Bis(4-chlorobenzyl)-3-bromobenzeneethanamine 2-(3-bromophenyl)-N,N-bis(4-chlorobenzyl)ethan-1-amine
Technique GC/MS
Wiley ID DD2024_021747