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N-(4-cyano-2-methyl-phenyl)-N-phenyl-acetamide

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

N-(4-cyano-2-methyl-phenyl)-N-phenyl-acetamide
SpectraBase Compound ID 2EwTWn2OrOJ
InChI InChI=1S/C16H14N2O/c1-12-10-14(11-17)8-9-16(12)18(13(2)19)15-6-4-3-5-7-15/h3-10H,1-2H3
InChIKey QTXXXFKDUMUKJP-UHFFFAOYSA-N
Mol Weight 250.3 g/mol
Molecular Formula C16H14N2O
Exact Mass 250.110613 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 76DtgPDjdds
Name N-(4-Cyano-2-methyl-phenyl)-N-phenyl-acetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.110613078 u
Formula C16H14N2O
InChI InChI=1S/C16H14N2O/c1-12-10-14(11-17)8-9-16(12)18(13(2)19)15-6-4-3-5-7-15/h3-10H,1-2H3
InChIKey QTXXXFKDUMUKJP-UHFFFAOYSA-N
Molecular Weight 250.301 g/mol
SMILES C=1(N(C(=O)C)C=2C=CC=CC2)C(=CC(C#N)=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91216