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N,N-Dibenzyl-4-bromophenethylamine

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

N,N-Dibenzyl-4-bromophenethylamine
SpectraBase Compound ID KnRVnoXhpX2
InChI InChI=1S/C22H22BrN/c23-22-13-11-19(12-14-22)15-16-24(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21/h1-14H,15-18H2
InChIKey RGDPKMVHHUFDBR-UHFFFAOYSA-N
Mol Weight 380.33 g/mol
Molecular Formula C22H22BrN
Exact Mass 379.093563 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B4MCWKoqrIU
Name N,N-Dibenzyl-4-bromophenethylamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.093562712 u
Formula C22H22BrN
InChI InChI=1S/C22H22BrN/c23-22-13-11-19(12-14-22)15-16-24(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21/h1-14H,15-18H2
InChIKey RGDPKMVHHUFDBR-UHFFFAOYSA-N
Molecular Weight 380.329 g/mol
SMILES C(N(CC=1C=CC=CC1)CCC=1C=CC(=CC1)Br)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892643