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N-Benzyl-4-methyl-2-(phenylethynyl)aniline

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

N-Benzyl-4-methyl-2-(phenylethynyl)aniline
SpectraBase Compound ID Iyll8Yzgh2z
InChI InChI=1S/C22H19N/c1-18-12-15-22(23-17-20-10-6-3-7-11-20)21(16-18)14-13-19-8-4-2-5-9-19/h2-12,15-16,23H,17H2,1H3
InChIKey LTZQTDAUAOZMBL-UHFFFAOYSA-N
Mol Weight 297.4 g/mol
Molecular Formula C22H19N
Exact Mass 297.15175 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H1f0VmqIbrf
Name N-Benzyl-4-methyl-2-(phenylethynyl)aniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.151749616 u
Formula C22H19N
InChI InChI=1S/C22H19N/c1-18-12-15-22(23-17-20-10-6-3-7-11-20)21(16-18)14-13-19-8-4-2-5-9-19/h2-12,15-16,23H,17H2,1H3
InChIKey LTZQTDAUAOZMBL-UHFFFAOYSA-N
SMILES C=1(NCC=2C=CC=CC2)C(=CC(=CC1)C)C#CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.833026