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5-(Methoxycarbonyl)methylthiomethyl-6-methyl-2-phenyl-3H-pyrimidin-4-one
SpectraBase Compound ID Fqvir4PdU3u
InChI InChI=1S/C15H16N2O3S/c1-10-12(8-21-9-13(18)20-2)15(19)17-14(16-10)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,16,17,19)
InChIKey ABCCWSCYYXPWOC-UHFFFAOYSA-N
Mol Weight 304.36 g/mol
Molecular Formula C15H16N2O3S
Exact Mass 304.088164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6f5FLJZApKx
Name 5-(Methoxycarbonyl)methylthiomethyl-6-methyl-2-phenyl-3H-pyrimidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N2O3S
InChI InChI=1S/C15H16N2O3S/c1-10-12(8-21-9-13(18)20-2)15(19)17-14(16-10)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,16,17,19)
InChIKey ABCCWSCYYXPWOC-UHFFFAOYSA-N
Molecular Weight 304.364 g/mol
SMILES N1C(C(=C(N=C1c1ccccc1)C)CSCC(=O)OC)=O
SPLASH splash10-0udj-0951000000-96e0fa5b790819d3030d
Source of Spectrum F-52-1733-30
Synonyms Methyl {[(4-methyl-6-oxo-2-phenyl-1,6-dihydro-5-pyrimidinyl)methyl]sulfanyl}acetate
Wiley ID 794943