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2-(2,6-Difluoro-benzylsulfanyl)-4-hydroxy-6-methyl-pyrimidine-5-carbonitrile
SpectraBase Compound ID 1q4YMPpOiBR
InChI InChI=1S/C13H9F2N3OS/c1-7-8(5-16)12(19)18-13(17-7)20-6-9-10(14)3-2-4-11(9)15/h2-4H,6H2,1H3,(H,17,18,19)
InChIKey YLTCDNQOQMFHIR-UHFFFAOYSA-N
Mol Weight 293.29 g/mol
Molecular Formula C13H9F2N3OS
Exact Mass 293.043439 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AwRfl4nIvTg
Name 2-(2,6-Difluoro-benzylsulfanyl)-4-hydroxy-6-methyl-pyrimidine-5-carbonitrile
Alternate Name(s) 2-[(2,6-Difluorobenzyl)sulfanyl]-4-hydroxy-6-methyl-5-pyrimidinecarbonitrile 2-[(2,6-difluorobenzyl)thio]-4-keto-6-methyl-1H-pyrimidine-5-carbonitrile 2-[(2,6-difluorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidine-5-carbonitrile 2-[(2,6-difluorophenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidine-5-carbonitrile 2-[[2,6-bis(fluoranyl)phenyl]methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile
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Formula C13H9F2N3OS
InChI InChI=1S/C13H9F2N3OS/c1-7-8(5-16)12(19)18-13(17-7)20-6-9-10(14)3-2-4-11(9)15/h2-4H,6H2,1H3,(H,17,18,19)
InChIKey YLTCDNQOQMFHIR-UHFFFAOYSA-N
Molecular Weight 293.292 g/mol
SMILES Oc1c(c(C)nc(n1)SCc1c(F)cccc1F)C#N
SPLASH splash10-004i-7910000000-0c37eac0dcde2386e15b
Wiley ID 1461672