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3-Bromophenethylamine N,N-bis(3-bromobenzyl)
SpectraBase Compound ID 2ENyj5MUy3e
InChI InChI=1S/C22H20Br3N/c23-20-7-1-4-17(12-20)10-11-26(15-18-5-2-8-21(24)13-18)16-19-6-3-9-22(25)14-19/h1-9,12-14H,10-11,15-16H2
InChIKey KMEMJCZNTKCDKS-UHFFFAOYSA-N
Mol Weight 538.12 g/mol
Molecular Formula C22H20Br3N
Exact Mass 534.914589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkKNDqpCeki
Name 3-Bromophenethylamine N,N-bis(3-bromobenzyl)
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 534.914588648 u
Formula C22H20Br3N
InChI InChI=1S/C22H20Br3N/c23-20-7-1-4-17(12-20)10-11-26(15-18-5-2-8-21(24)13-18)16-19-6-3-9-22(25)14-19/h1-9,12-14H,10-11,15-16H2
InChIKey KMEMJCZNTKCDKS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 538.121 g/mol
Nominal Mass 535 u
Quality 1000
Retention Index 3520
SMILES C(N(CC1=CC(=CC=C1)Br)CCC=1C=C(C=CC1)Br)C1=CC(=CC=C1)Br
SPLASH splash10-014i-3509000000-fef1b8dedfe4f9dc7dba
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N,N-Bis(3-bromobenzyl)-2-(3-bromophenyl)ethan-1-amine
Technique GC/MS
Wiley ID DD2024_022501