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2-(Benzylsulfanyl)-5-butyl-6-hydroxy-4(3H)-pyrimidinone
SpectraBase Compound ID JzSaYmONELM
InChI InChI=1S/C15H18N2O2S/c1-2-3-9-12-13(18)16-15(17-14(12)19)20-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H2,16,17,18,19)
InChIKey QFXJRCHJTLLKNV-UHFFFAOYSA-N
Mol Weight 290.38 g/mol
Molecular Formula C15H18N2O2S
Exact Mass 290.108899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID w9aDW1agoF
Name 2-(Benzylsulfanyl)-5-butyl-6-hydroxy-4(3H)-pyrimidinone
Alternate Name(s) 2-(benzylthio)-5-butyl-4-hydroxy-1H-pyrimidin-6-one 2-Benzylsulfanyl-5-butyl-4-hydroxy-1H-pyrimidin-6-one 2-Benzylthio-5-butyl-6-hydroxy-3H-pyrimidin-4-one 5-Butyl-4-hydroxy-2-(phenylmethylthio)-1H-pyrimidin-6-one 5-Butyl-4-oxidanyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-one
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Formula C15H18N2O2S
InChI InChI=1S/C15H18N2O2S/c1-2-3-9-12-13(18)16-15(17-14(12)19)20-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H2,16,17,18,19)
InChIKey QFXJRCHJTLLKNV-UHFFFAOYSA-N
Molecular Weight 290.381 g/mol
SMILES Oc1c(c(nc(n1)SCc1ccccc1)O)CCCC
SPLASH splash10-0006-9340000000-c19cab5d9f0b94dc649c
Source of Spectrum AD-0-2532-0
Wiley ID 1429636