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N-Benzyl-2-(4-bromophenylethynyl)aniline

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

N-Benzyl-2-(4-bromophenylethynyl)aniline
SpectraBase Compound ID JAJA7TcAvfa
InChI InChI=1S/C21H16BrN/c22-20-14-11-17(12-15-20)10-13-19-8-4-5-9-21(19)23-16-18-6-2-1-3-7-18/h1-9,11-12,14-15,23H,16H2
InChIKey CPTPEICQAAEPGS-UHFFFAOYSA-N
Mol Weight 362.27 g/mol
Molecular Formula C21H16BrN
Exact Mass 361.046613 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 36GuceKV3cE
Name N-Benzyl-2-(4-bromophenylethynyl)aniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.046612519 u
Formula C21H16BrN
InChI InChI=1S/C21H16BrN/c22-20-14-11-17(12-15-20)10-13-19-8-4-5-9-21(19)23-16-18-6-2-1-3-7-18/h1-9,11-12,14-15,23H,16H2
InChIKey CPTPEICQAAEPGS-UHFFFAOYSA-N
Molecular Weight 362.270 g/mol
SMILES C=1(NCC=2C=CC=CC2)C(=CC=CC1)C#CC=1C=CC(=CC1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.857363