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3-Methyl-5-(4-chlorobenzoyl)-2-(methylthio)pyrimidin-4(3H)-one
SpectraBase Compound ID HiMH7An5VAN
InChI InChI=1S/C13H11ClN2O2S/c1-16-12(18)10(7-15-13(16)19-2)11(17)8-3-5-9(14)6-4-8/h3-7H,1-2H3
InChIKey KGKYNONNMZKWSV-UHFFFAOYSA-N
Mol Weight 294.76 g/mol
Molecular Formula C13H11ClN2O2S
Exact Mass 294.022976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Ux2DdqqhBi
Name 3-Methyl-5-(4-chlorobenzoyl)-2-(methylthio)pyrimidin-4(3H)-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11ClN2O2S
InChI InChI=1S/C13H11ClN2O2S/c1-16-12(18)10(7-15-13(16)19-2)11(17)8-3-5-9(14)6-4-8/h3-7H,1-2H3
InChIKey KGKYNONNMZKWSV-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000879
Molecular Weight 294.756 g/mol
SMILES CN1C(SC)=NC=C(C(=O)c2ccc(cc2)Cl)C1=O
SPLASH splash10-052r-0490000000-f6ce21f6c7d7c9507b9c
Source of Spectrum U1-2020-5534-4d
Wiley ID 1860923