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5-Acetyl-6-methyl-4-(methylthio)-1-phenyl-2-pyrimidinone

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

5-Acetyl-6-methyl-4-(methylthio)-1-phenyl-2-pyrimidinone
SpectraBase Compound ID 4jBgZtI9cou
InChI InChI=1S/C14H14N2O2S/c1-9-12(10(2)17)13(19-3)15-14(18)16(9)11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKey KSUCRZMADQMNBZ-UHFFFAOYSA-N
Mol Weight 274.34 g/mol
Molecular Formula C14H14N2O2S
Exact Mass 274.077599 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 24jdWnStYEN
Name 5-Acetyl-6-methyl-4-(methylthio)-1-phenyl-2-pyrimidinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.077598871 u
Formula C14H14N2O2S
InChI InChI=1S/C14H14N2O2S/c1-9-12(10(2)17)13(19-3)15-14(18)16(9)11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKey KSUCRZMADQMNBZ-UHFFFAOYSA-N
SMILES C1(N=C(C(=C(N1C=1C=CC=CC1)C)C(=O)C)SC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962444