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N,N-Bis(4-methoxybenzyl)-4-bromophenethylamine

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

N,N-Bis(4-methoxybenzyl)-4-bromophenethylamine
SpectraBase Compound ID EWVKBoJTSv9
InChI InChI=1S/C24H26BrNO2/c1-27-23-11-5-20(6-12-23)17-26(16-15-19-3-9-22(25)10-4-19)18-21-7-13-24(28-2)14-8-21/h3-14H,15-18H2,1-2H3
InChIKey NWHQMUKXUCIXFR-UHFFFAOYSA-N
Mol Weight 440.38 g/mol
Molecular Formula C24H26BrNO2
Exact Mass 439.114692 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID tragA1jp1O
Name N,N-bis(4-Methoxybenzyl)-4-bromophenethylamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 439.114692079 u
Formula C24H26BrNO2
InChI InChI=1S/C24H26BrNO2/c1-27-23-11-5-20(6-12-23)17-26(16-15-19-3-9-22(25)10-4-19)18-21-7-13-24(28-2)14-8-21/h3-14H,15-18H2,1-2H3
InChIKey NWHQMUKXUCIXFR-UHFFFAOYSA-N
Molecular Weight 440.381 g/mol
SMILES C(N(CC1=CC=C(C=C1)OC)CCC1=CC=C(C=C1)Br)C=1C=CC(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926889