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5-Methyl-6-(phenylthio)pyrimidine-2,4(1H,3H)-dione

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

5-Methyl-6-(phenylthio)pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID APkeuT1ZtGR
InChI InChI=1S/C11H10N2O2S/c1-7-9(14)12-11(15)13-10(7)16-8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,13,14,15)
InChIKey CTOOWBUBIRWOGC-UHFFFAOYSA-N
Mol Weight 234.27 g/mol
Molecular Formula C11H10N2O2S
Exact Mass 234.046299 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2Pawkb5HS0D
Name 5-Methyl-6-(phenylthio)pyrimidine-2,4(1H,3H)-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.046298742 u
Formula C11H10N2O2S
InChI InChI=1S/C11H10N2O2S/c1-7-9(14)12-11(15)13-10(7)16-8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,13,14,15)
InChIKey CTOOWBUBIRWOGC-UHFFFAOYSA-N
Molecular Weight 234.273 g/mol
SMILES C1(NC(NC(=C1C)SC1=CC=CC=C1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963256