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2-keto-4-(methylthio)-6-phenyl-pyran-3-carbonitrile
SpectraBase Compound ID AeIopo7gjjN
InChI InChI=1S/C13H9NO2S/c1-17-12-7-11(9-5-3-2-4-6-9)16-13(15)10(12)8-14/h2-7H,1H3
InChIKey FIGVJXMTQDHJMQ-UHFFFAOYSA-N
Mol Weight 243.28 g/mol
Molecular Formula C13H9NO2S
Exact Mass 243.0354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JVZL2R0F303
Name 2-keto-4-(methylthio)-6-phenyl-pyran-3-carbonitrile
Alternate Name(s) 4-(methylsulfanyl)-2-oxo-6-phenyl-2H-pyran-3-carbonitrile 4-(methylthio)-2-oxo-6-phenyl-3-pyrancarbonitrile 4-Methylsulfanyl-2-oxidanylidene-6-phenyl-pyran-3-carbonitrile 4-Methylsulfanyl-2-oxo-6-phenyl-pyran-3-carbonitrile
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Formula C13H9NO2S
InChI InChI=1S/C13H9NO2S/c1-17-12-7-11(9-5-3-2-4-6-9)16-13(15)10(12)8-14/h2-7H,1H3
InChIKey FIGVJXMTQDHJMQ-UHFFFAOYSA-N
Molecular Weight 243.280 g/mol
SMILES C=1(C(OC(=CC1SC)c1ccccc1)=O)C#N
SPLASH splash10-05ox-4690000000-f3061127aaeeb0e36318
Source of Spectrum Y1-36-874-1
Wiley ID 1527152