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N-(cyanomethyl)-2-(4-methylphenyl)acetamide

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

N-(cyanomethyl)-2-(4-methylphenyl)acetamide
SpectraBase Compound ID JIF88lfEsPt
InChI InChI=1S/C11H12N2O/c1-9-2-4-10(5-3-9)8-11(14)13-7-6-12/h2-5H,7-8H2,1H3,(H,13,14)
InChIKey YFEKUPXSXLSTRI-UHFFFAOYSA-N
Mol Weight 188.23 g/mol
Molecular Formula C11H12N2O
Exact Mass 188.094963 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AisrzLL2Fmn
Name N-(Cyanomethyl)-2-(4-methylphenyl)acetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 188.094963013 u
Formula C11H12N2O
InChI InChI=1S/C11H12N2O/c1-9-2-4-10(5-3-9)8-11(14)13-7-6-12/h2-5H,7-8H2,1H3,(H,13,14)
InChIKey YFEKUPXSXLSTRI-UHFFFAOYSA-N
Molecular Weight 188.230 g/mol
SMILES C(#N)CNC(=O)CC=1C=CC(=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932731