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N-(1-methyl-4-oxo-butyl)benzamide

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

N-(1-methyl-4-oxo-butyl)benzamide
SpectraBase Compound ID IOCOvuqbdyM
InChI InChI=1S/C12H15NO2/c1-10(6-5-9-14)13-12(15)11-7-3-2-4-8-11/h2-4,7-10H,5-6H2,1H3,(H,13,15)
InChIKey FWWAOTSZLJRUHM-UHFFFAOYSA-N
Mol Weight 205.26 g/mol
Molecular Formula C12H15NO2
Exact Mass 205.110279 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JBjNjQ6hyoZ
Name N-(1-Methyl-4-oxo-butyl)benzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 205.110278725 u
Formula C12H15NO2
InChI InChI=1S/C12H15NO2/c1-10(6-5-9-14)13-12(15)11-7-3-2-4-8-11/h2-4,7-10H,5-6H2,1H3,(H,13,15)
InChIKey FWWAOTSZLJRUHM-UHFFFAOYSA-N
Molecular Weight 205.257 g/mol
SMILES C(NC(CCC=O)C)(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.984165