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6-Methyl-3-phenyl-2-methylthio-3,4-dihydropirimidin-4-one

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

6-Methyl-3-phenyl-2-methylthio-3,4-dihydropirimidin-4-one
SpectraBase Compound ID FTqGng00vs5
InChI InChI=1S/C12H12N2OS/c1-9-8-11(15)14(12(13-9)16-2)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey GPFHJDDZKIADGL-UHFFFAOYSA-N
Mol Weight 232.3 g/mol
Molecular Formula C12H12N2OS
Exact Mass 232.067034 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AsFpVknawpr
Name 6-Methyl-3-phenyl-2-methylthio-3,4-dihydropirimidin-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.067034187 u
Formula C12H12N2OS
InChI InChI=1S/C12H12N2OS/c1-9-8-11(15)14(12(13-9)16-2)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey GPFHJDDZKIADGL-UHFFFAOYSA-N
Molecular Weight 232.301 g/mol
SMILES C=1(N(C(C=C(N1)C)=O)C=1C=CC=CC1)SC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938948