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3-pyridinecarbonitrile, 6-(2-methyl-1-propenyl)-2-[[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]thio]-
SpectraBase Compound ID 5OZOW45fKDk
InChI InChI=1S/C21H16N2O3S/c1-13(2)9-16-8-7-15(11-22)20(23-16)27-12-18(24)17-10-14-5-3-4-6-19(14)26-21(17)25/h3-10H,12H2,1-2H3
InChIKey UEVSUCCTMUPZCV-UHFFFAOYSA-N
Mol Weight 376.43 g/mol
Molecular Formula C21H16N2O3S
Exact Mass 376.088164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8iF30gDiUnA
Name 2-[[2-keto-2-(2-ketochromen-3-yl)ethyl]thio]-6-(2-methylprop-1-enyl)nicotinonitrile
Alternate Name(s) 6-(2-Methylprop-1-enyl)-2-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-pyridine-3-carbonitrile 6-(2-Methylprop-1-enyl)-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-pyridine-3-carbonitrile 6-(2-Methylprop-1-enyl)-2-[[2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl]thio]-3-pyridinecarbonitrile
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Formula C21H16N2O3S
InChI InChI=1S/C21H16N2O3S/c1-13(2)9-16-8-7-15(11-22)20(23-16)27-12-18(24)17-10-14-5-3-4-6-19(14)26-21(17)25/h3-10H,12H2,1-2H3
InChIKey UEVSUCCTMUPZCV-UHFFFAOYSA-N
Molecular Weight 376.430 g/mol
SMILES C=1(C(Oc2c(C1)cccc2)=O)C(CSc1nc(C=C(C)C)ccc1C#N)=O
SPLASH splash10-0f79-9710000000-4e23bd9fd3faf3c54a0f
Wiley ID 1452884