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2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5,6-dimethyl-1H-pyrimidin-4-one
SpectraBase Compound ID BFpLYJUiblP
InChI InChI=1S/C13H12ClFN2OS/c1-7-8(2)16-13(17-12(7)18)19-6-9-10(14)4-3-5-11(9)15/h3-5H,6H2,1-2H3,(H,16,17,18)
InChIKey HSOKYJGVTTYEKO-UHFFFAOYSA-N
Mol Weight 298.76 g/mol
Molecular Formula C13H12ClFN2OS
Exact Mass 298.03429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOLglrfrO2U
Name 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5,6-dimethyl-1H-pyrimidin-4-one
Alternate Name(s) 2-[(2-chloro-6-fluoro-benzyl)thio]-5,6-dimethyl-1H-pyrimidin-4-one 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5,6-dimethyl-1H-pyrimidin-4-one 2-[(2-chloro-6-fluorophenyl)methylthio]-5,6-dimethyl-1H-pyrimidin-4-one
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Formula C13H12ClFN2OS
InChI InChI=1S/C13H12ClFN2OS/c1-7-8(2)16-13(17-12(7)18)19-6-9-10(14)4-3-5-11(9)15/h3-5H,6H2,1-2H3,(H,16,17,18)
InChIKey HSOKYJGVTTYEKO-UHFFFAOYSA-N
Molecular Weight 298.763 g/mol
SMILES Oc1nc(SCc2c(F)cccc2Cl)nc(c1C)C
SPLASH splash10-0a4i-4920000000-7174ab7a4f67f7f37733
Source of Spectrum AD-0-2532-0
Wiley ID 1430260