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N-(3,4-Dimethylphenyl)-3-oxobutanamide

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N-(3,4-Dimethylphenyl)-3-oxobutanamide
SpectraBase Compound ID 8nfe10oUpY4
InChI InChI=1S/C12H15NO2/c1-8-4-5-11(6-9(8)2)13-12(15)7-10(3)14/h4-6H,7H2,1-3H3,(H,13,15)
InChIKey KKSJXJUYTRVZNM-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 5z5WGwPH2fh
Name N-(3,4-Dimethylphenyl)-3-oxobutanamide
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/c1-8-4-5-11(6-9(8)2)13-12(15)7-10(3)14/h4-6H,7H2,1-3H3,(H,13,15)
InChIKey KKSJXJUYTRVZNM-UHFFFAOYSA-N
Molecular Weight 205.257 g/mol
SMILES C1(NC(=O)CC(=O)C)=CC(=C(C=C1)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974851