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5-Acetyl-1-butyl-2-methyl-2,3-dihydro-1H-pyridin-4-one

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

5-Acetyl-1-butyl-2-methyl-2,3-dihydro-1H-pyridin-4-one
SpectraBase Compound ID 5ubLDKqN36T
InChI InChI=1S/C12H19NO2/c1-4-5-6-13-8-11(10(3)14)12(15)7-9(13)2/h8-9H,4-7H2,1-3H3
InChIKey ZNCBJSHPOFVTFB-UHFFFAOYSA-N
Mol Weight 209.29 g/mol
Molecular Formula C12H19NO2
Exact Mass 209.141579 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KjK97Cv5cQu
Name 5-Acetyl-1-butyl-2-methyl-2,3-dihydro-1H-pyridin-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 209.141578854 u
Formula C12H19NO2
InChI InChI=1S/C12H19NO2/c1-4-5-6-13-8-11(10(3)14)12(15)7-9(13)2/h8-9H,4-7H2,1-3H3
InChIKey ZNCBJSHPOFVTFB-UHFFFAOYSA-N
Molecular Weight 209.289 g/mol
SMILES C1(=CN(CCCC)C(CC1=O)C)C(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.850929