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N-(3-methylphenyl)-N-propanoylpropanamide

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

N-(3-methylphenyl)-N-propanoylpropanamide
SpectraBase Compound ID CJq62BhH0nx
InChI InChI=1S/C13H17NO2/c1-4-12(15)14(13(16)5-2)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
InChIKey PJGJYAYESMTAOE-UHFFFAOYSA-N
Mol Weight 219.28 g/mol
Molecular Formula C13H17NO2
Exact Mass 219.125929 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LvwKTXxRMLo
Name N-(3-Methylphenyl)-N-propanoylpropanamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.125928789 u
Formula C13H17NO2
InChI InChI=1S/C13H17NO2/c1-4-12(15)14(13(16)5-2)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
InChIKey PJGJYAYESMTAOE-UHFFFAOYSA-N
Molecular Weight 219.284 g/mol
SMILES C1(N(C(CC)=O)C(CC)=O)=CC(=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971541