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2-HYDROXY-6-MWTHYL-5-(PHENYLTHIO)-PYRIDINE-3-CARBONITRILE
SpectraBase Compound ID BqVaSJQjfqc
InChI InChI=1S/C13H10N2OS/c1-9-12(7-10(8-14)13(16)15-9)17-11-5-3-2-4-6-11/h2-7H,1H3,(H,15,16)
InChIKey SPXRXKGIZYRGMM-UHFFFAOYSA-N
Mol Weight 242.3 g/mol
Molecular Formula C13H10N2OS
Exact Mass 242.051384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID My5KITdcBr
Name 2-keto-6-methyl-5-(phenylthio)-1H-pyridine-3-carbonitrile
Alternate Name(s) 6-Methyl-2-oxidanylidene-5-phenylsulfanyl-1H-pyridine-3-carbonitrile 6-Methyl-2-oxo-5-(phenylthio)-1H-pyridine-3-carbonitrile 6-Methyl-2-oxo-5-phenylsulfanyl-1H-pyridine-3-carbonitrile
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Formula C13H10N2OS
InChI InChI=1S/C13H10N2OS/c1-9-12(7-10(8-14)13(16)15-9)17-11-5-3-2-4-6-11/h2-7H,1H3,(H,15,16)
InChIKey SPXRXKGIZYRGMM-UHFFFAOYSA-N
Molecular Weight 242.296 g/mol
SMILES Oc1c(cc(c(n1)C)Sc1ccccc1)C#N
SPLASH splash10-0006-2090000000-b0e6b3bcf5c40977a304
Source of Spectrum AH-130-553-16
Wiley ID 770631