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6-Methyl-2-[(2-oxo-2-phenylethyl)thio]pyrimidin-4(3H)-one
SpectraBase Compound ID CDNzBB78UEf
InChI InChI=1S/C13H12N2O2S/c1-9-7-12(17)15-13(14-9)18-8-11(16)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15,17)
InChIKey LDUQCWSKGSQRBH-UHFFFAOYSA-N
Mol Weight 260.31 g/mol
Molecular Formula C13H12N2O2S
Exact Mass 260.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bq3h4pfPTcI
Name 6-Methyl-2-[(2-oxo-2-phenylethyl)thio]pyrimidin-4(3H)-one
Appearance White solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O2S
InChI InChI=1S/C13H12N2O2S/c1-9-7-12(17)15-13(14-9)18-8-11(16)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15,17)
InChIKey LDUQCWSKGSQRBH-UHFFFAOYSA-N
Instrument Name MX-1321
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2525
Molecular Weight 260.311 g/mol
SMILES N1C(=NC(=CC1=O)C)SCC(=O)c1ccccc1
SPLASH splash10-0a4i-1910000000-cf4197c3ee73047ded43
Source of Spectrum Y-53-2034-4b
Wiley ID 1876752