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2-((methylthio)methyl)pyrimidine-4,6-diol
SpectraBase Compound ID 1fRdJaysOHi
InChI InChI=1S/C6H8N2O2S/c1-11-3-4-7-5(9)2-6(10)8-4/h2H,3H2,1H3,(H2,7,8,9,10)
InChIKey KUBGUWAIJOAMJJ-UHFFFAOYSA-N
Mol Weight 172.2 g/mol
Molecular Formula C6H8N2O2S
Exact Mass 172.030649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETMZqwAg6Cm
Name 2-((methylthio)methyl)pyrimidine-4,6-diol
Alternate Name(s) 4-Hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one 2-(methylsulfanylmethyl)-4-oxidanyl-1H-pyrimidin-6-one
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Formula C6H8N2O2S
InChI InChI=1S/C6H8N2O2S/c1-11-3-4-7-5(9)2-6(10)8-4/h2H,3H2,1H3,(H2,7,8,9,10)
InChIKey KUBGUWAIJOAMJJ-UHFFFAOYSA-N
Molecular Weight 172.202 g/mol
SMILES Oc1cc(nc(n1)CSC)O
SPLASH splash10-00ou-9300000000-fba0ec108035f5b35ded
Source of Spectrum JX-2012-518
Wiley ID 1660965