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5-cyano-2-keto-6-(methylthio)-1H-pyridine-3-carboxylic acid
SpectraBase Compound ID g7HEbndxau
InChI InChI=1S/C8H6N2O3S/c1-14-7-4(3-9)2-5(8(12)13)6(11)10-7/h2H,1H3,(H,10,11)(H,12,13)
InChIKey DHWIFHCOMJIINQ-UHFFFAOYSA-N
Mol Weight 210.21 g/mol
Molecular Formula C8H6N2O3S
Exact Mass 210.009913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FYIkFENMuIM
Name 5-cyano-2-keto-6-(methylthio)-1H-pyridine-3-carboxylic acid
Alternate Name(s) 5-cyano-6-(methylthio)-2-oxo-1H-pyridine-3-carboxylic acid 5-cyano-6-methylsulfanyl-2-oxidanylidene-1H-pyridine-3-carboxylic acid 5-Cyano-6-methylsulfanyl-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid 5-cyano-6-methylsulfanyl-2-oxo-1H-pyridine-3-carboxylic acid
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Formula C8H6N2O3S
InChI InChI=1S/C8H6N2O3S/c1-14-7-4(3-9)2-5(8(12)13)6(11)10-7/h2H,1H3,(H,10,11)(H,12,13)
InChIKey DHWIFHCOMJIINQ-UHFFFAOYSA-N
Molecular Weight 210.207 g/mol
SMILES N1C(=C(C=C(C(=O)O)C1=O)C#N)SC
SPLASH splash10-03dl-6910000000-0c0b10e6441865530cf4
Wiley ID 1465730