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2-(benzylthio)-6-fluoro-4-keto-1H-quinoline-3-carbonitrile
SpectraBase Compound ID 3rnnDNtSNAY
InChI InChI=1S/C17H11FN2OS/c18-12-6-7-15-13(8-12)16(21)14(9-19)17(20-15)22-10-11-4-2-1-3-5-11/h1-8H,10H2,(H,20,21)
InChIKey YGPKXURVSDHDNY-UHFFFAOYSA-N
Mol Weight 310.35 g/mol
Molecular Formula C17H11FN2OS
Exact Mass 310.057612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90vETXl7dW
Name 2-(benzylthio)-6-fluoro-4-keto-1H-quinoline-3-carbonitrile
Alternate Name(s) 2-Benzylsulfanyl-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carbonitrile 2-Benzylsulfanyl-6-fluoro-4-oxo-1H-quinoline-3-carbonitrile 6-Fluoranyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-quinoline-3-carbonitrile 6-Fluoro-4-oxo-2-(phenylmethylthio)-1H-quinoline-3-carbonitrile
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Formula C17H11FN2OS
InChI InChI=1S/C17H11FN2OS/c18-12-6-7-15-13(8-12)16(21)14(9-19)17(20-15)22-10-11-4-2-1-3-5-11/h1-8H,10H2,(H,20,21)
InChIKey YGPKXURVSDHDNY-UHFFFAOYSA-N
Molecular Weight 310.346 g/mol
SMILES N1C(=C(C(c2c1ccc(c2)F)=O)C#N)SCc1ccccc1
SPLASH splash10-0006-9311000000-67957921c7cbe2216ad2
Wiley ID 1461598