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6-(4-fluorophenyl)-2-keto-4-(methylthio)pyran-3-carbonitrile
SpectraBase Compound ID 833tn0vm7v2
InChI InChI=1S/C13H8FNO2S/c1-18-12-6-11(17-13(16)10(12)7-15)8-2-4-9(14)5-3-8/h2-6H,1H3
InChIKey ZKLQTJIJAOFUAZ-UHFFFAOYSA-N
Mol Weight 261.27 g/mol
Molecular Formula C13H8FNO2S
Exact Mass 261.025978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lh5zkbCXYvV
Name 6-(4-fluorophenyl)-2-keto-4-(methylthio)pyran-3-carbonitrile
Alternate Name(s) 6-(4-fluorophenyl)-4-(methylthio)-2-oxo-3-pyrancarbonitrile 6-(4-fluorophenyl)-4-methylsulfanyl-2-oxidanylidene-pyran-3-carbonitrile 6-(4-fluorophenyl)-4-methylsulfanyl-2-oxo-pyran-3-carbonitrile
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Formula C13H8FNO2S
InChI InChI=1S/C13H8FNO2S/c1-18-12-6-11(17-13(16)10(12)7-15)8-2-4-9(14)5-3-8/h2-6H,1H3
InChIKey ZKLQTJIJAOFUAZ-UHFFFAOYSA-N
Molecular Weight 261.270 g/mol
SMILES C1(C(=C(C=C(O1)c1ccc(cc1)F)SC)C#N)=O
SPLASH splash10-03k9-1490000000-4bb8c446bf91973330b4
Source of Spectrum Y1-32-924-1
Wiley ID 1526074