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6-(4-Chlorophenyl)-2-keto-4-(methylthio)pyran-3-carbonitrile
SpectraBase Compound ID Dse7jtX92yN
InChI InChI=1S/C13H8ClNO2S/c1-18-12-6-11(17-13(16)10(12)7-15)8-2-4-9(14)5-3-8/h2-6H,1H3
InChIKey DSLIJABHAVBSDV-UHFFFAOYSA-N
Mol Weight 277.72 g/mol
Molecular Formula C13H8ClNO2S
Exact Mass 276.996427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7k7Hu9gylY
Name 6-(4-Chlorophenyl)-2-keto-4-(methylthio)pyran-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8ClNO2S
InChI InChI=1S/C13H8ClNO2S/c1-18-12-6-11(17-13(16)10(12)7-15)8-2-4-9(14)5-3-8/h2-6H,1H3
InChIKey DSLIJABHAVBSDV-UHFFFAOYSA-N
Molecular Weight 277.725 g/mol
SMILES C=1(C(OC(=CC1SC)c1ccc(Cl)cc1)=O)C#N
SPLASH splash10-01ti-0790000000-589ba0b257cb1d2ff46c
Source of Spectrum Y1-36-874-3
Synonyms 6-(4-Chlorophenyl)-4-(methylsulfanyl)-2-oxo-2H-pyran-3-carbonitrile 6-(4-Chlorophenyl)-4-(methylthio)-2-oxo-3-pyrancarbonitrile 6-(4-Chlorophenyl)-4-methylsulfanyl-2-oxidanylidene-pyran-3-carbonitrile 6-(4-Chlorophenyl)-4-methylsulfanyl-2-oxo-pyran-3-carbonitrile
Wiley ID 1527150