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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LwuKWdQVQkd
Name 3-Methyl-5-(4-methylbenzoyl)-2-(methylthio)pyrimidin-4(3H)-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N2O2S
InChI InChI=1S/C14H14N2O2S/c1-9-4-6-10(7-5-9)12(17)11-8-15-14(19-3)16(2)13(11)18/h4-8H,1-3H3
InChIKey UFWWOZAREVSPJI-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000879
Molecular Weight 274.338 g/mol
SMILES CN1C(SC)=NC=C(C(=O)c2ccc(cc2)C)C1=O
SPLASH splash10-0aor-4690000000-78f09628f0c220145f54
Source of Spectrum U1-2020-5534-4b
Wiley ID 1860921