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5-butyl-2-(methylthio)-4,6-pyrimidinediol
SpectraBase Compound ID BXx0evSDJUH
InChI InChI=1S/C9H14N2O2S/c1-3-4-5-6-7(12)10-9(14-2)11-8(6)13/h3-5H2,1-2H3,(H2,10,11,12,13)
InChIKey PZDBCHPQACENCW-UHFFFAOYSA-N
Mol Weight 214.28 g/mol
Molecular Formula C9H14N2O2S
Exact Mass 214.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HfyUTGuQPjJ
Name 5-Butyl-2-(methylsulfanyl)-4,6-pyrimidinediol
Alternate Name(s) 5-Butyl-2-methylsulfanyl-4-oxidanyl-1H-pyrimidin-6-one 5-Butyl-4-hydroxy-2-(methylthio)-1H-pyrimidin-6-one 5-Butyl-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one Pyrimidine-4,6-diol, 5-butyl-2-methylthio-
CAS Registry Number 284665-24-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14N2O2S
InChI InChI=1S/C9H14N2O2S/c1-3-4-5-6-7(12)10-9(14-2)11-8(6)13/h3-5H2,1-2H3,(H2,10,11,12,13)
InChIKey PZDBCHPQACENCW-UHFFFAOYSA-N
Molecular Weight 214.283 g/mol
SMILES Oc1nc(nc(c1CCCC)O)SC
SPLASH splash10-00di-8910000000-25593104159a873b7c7e
Source of Spectrum AD-0-2532-0
Wiley ID 1428741