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N-(4-Bromobenzyl)-3-methylaniline

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

N-(4-Bromobenzyl)-3-methylaniline
SpectraBase Compound ID 1YVThbz2LZp
InChI InChI=1S/C14H14BrN/c1-11-3-2-4-14(9-11)16-10-12-5-7-13(15)8-6-12/h2-9,16H,10H2,1H3
InChIKey DJGZGSRJKMNSLB-UHFFFAOYSA-N
Mol Weight 276.18 g/mol
Molecular Formula C14H14BrN
Exact Mass 275.030962 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K9jJ02ASUUg
Name N-(4-Bromobenzyl)-3-methylaniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 275.030962455 u
Formula C14H14BrN
InChI InChI=1S/C14H14BrN/c1-11-3-2-4-14(9-11)16-10-12-5-7-13(15)8-6-12/h2-9,16H,10H2,1H3
InChIKey DJGZGSRJKMNSLB-UHFFFAOYSA-N
Molecular Weight 276.177 g/mol
SMILES C1(NCC=2C=CC(=CC2)Br)=CC(=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.811518