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4-Oxo-4H-[1]benzofuro[3,2-b]thiopyran-2-carbonitrile
SpectraBase Compound ID IgfzTgUF3C8
InChI InChI=1S/C12H5NO2S/c13-6-7-5-9(14)11-12(16-7)8-3-1-2-4-10(8)15-11/h1-5H
InChIKey WMOORRKSLQEWGA-UHFFFAOYSA-N
Mol Weight 227.24 g/mol
Molecular Formula C12H5NO2S
Exact Mass 227.0041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGtvjgwWKRB
Name 4-Oxo-4H-[1]benzofuro[3,2-b]thiopyran-2-carbonitrile
Alternate Name(s) 4-oxo-4H-thiino[3,2-b][1]benzofuran-2-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C12H5NO2S
InChI InChI=1S/C12H5NO2S/c13-6-7-5-9(14)11-12(16-7)8-3-1-2-4-10(8)15-11/h1-5H
InChIKey WMOORRKSLQEWGA-UHFFFAOYSA-N
Molecular Weight 227.237 g/mol
SMILES c12c(SC(=CC2=O)C#N)c2ccccc2o1
SPLASH splash10-002b-0890000000-f03f42b9d56f153c3564
Source of Spectrum D8-323-851-10
Wiley ID 1513799