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2-Propanone, 1-[(5-hydroxy-2-methyl-4-pyrimidinyl)thio]-
SpectraBase Compound ID DgYZYEIOnEZ
InChI InChI=1S/C8H10N2O2S/c1-5(11)4-13-8-7(12)3-9-6(2)10-8/h3,12H,4H2,1-2H3
InChIKey JQXKJAHJUGQJJS-UHFFFAOYSA-N
Mol Weight 198.24 g/mol
Molecular Formula C8H10N2O2S
Exact Mass 198.046299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8uxZkG4eUQ
Name 2-Propanone, 1-[(5-hydroxy-2-methyl-4-pyrimidinyl)thio]-
CAS Registry Number 91036-38-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10N2O2S
InChI InChI=1S/C8H10N2O2S/c1-5(11)4-13-8-7(12)3-9-6(2)10-8/h3,12H,4H2,1-2H3
InChIKey JQXKJAHJUGQJJS-UHFFFAOYSA-N
Molecular Weight 198.240 g/mol
SMILES Oc1c(nc(nc1)C)SCC(=O)C
SPLASH splash10-0a4i-1900000000-cc611c8ce254f2973451
Source of Spectrum SB-37-950-0
Synonyms 1-(5-Hydroxy-2-methyl-4-pyrimidinylthio-2-propanone 1-[(5-hydroxy-2-methyl-4-pyrimidinyl)sulfanyl]acetone 1-[(5-hydroxy-2-methyl-4-pyrimidinyl)thio]-2-propanone 1-(5-hydroxy-2-methylpyrimidin-4-yl)sulfanylpropan-2-one 1-(5-hydroxy-2-methyl-pyrimidin-4-yl)sulfanylpropan-2-one 1-(2-Methyl-5-oxidanyl-pyrimidin-4-yl)sulfanylpropan-2-one
Wiley ID 1194938