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3-keto-N-(phenethylcarbamoyl)butyramide

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

3-keto-N-(phenethylcarbamoyl)butyramide
SpectraBase Compound ID 4YphL9zWFpI
InChI InChI=1S/C13H16N2O3/c1-10(16)9-12(17)15-13(18)14-8-7-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,14,15,17,18)
InChIKey CDUZESMQTAXTKO-UHFFFAOYSA-N
Mol Weight 248.28 g/mol
Molecular Formula C13H16N2O3
Exact Mass 248.116092 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JEns0HDz41x
Name 3-Keto-N-(phenethylcarbamoyl)butyramide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.116092380 u
Formula C13H16N2O3
InChI InChI=1S/C13H16N2O3/c1-10(16)9-12(17)15-13(18)14-8-7-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,14,15,17,18)
InChIKey CDUZESMQTAXTKO-UHFFFAOYSA-N
Molecular Weight 248.282 g/mol
SMILES C(NCCC=1C=CC=CC1)(=O)NC(=O)CC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910721