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N-(4-cyanophenyl)-3-methylbenzamide

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

N-(4-cyanophenyl)-3-methylbenzamide
SpectraBase Compound ID lEqSkfYtvh
InChI InChI=1S/C15H12N2O/c1-11-3-2-4-13(9-11)15(18)17-14-7-5-12(10-16)6-8-14/h2-9H,1H3,(H,17,18)
InChIKey SUGBEAJLPVSROX-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C15H12N2O
Exact Mass 236.094963 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JnxvYpbUdyu
Name N-(4-Cyano-phenyl)-3-methyl-benzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.094963013 u
Formula C15H12N2O
InChI InChI=1S/C15H12N2O/c1-11-3-2-4-13(9-11)15(18)17-14-7-5-12(10-16)6-8-14/h2-9H,1H3,(H,17,18)
InChIKey SUGBEAJLPVSROX-UHFFFAOYSA-N
Molecular Weight 236.274 g/mol
SMILES C=1(C(NC2=CC=C(C#N)C=C2)=O)C=C(C=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947616