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3-Allyl-7,7-dimethyl-2-methylsulfanyl-5-oxo-4-phenyl-3,4,5,6,7,8-hexahydro-quinoline-3-carbonitrile
SpectraBase Compound ID qmlYfdRdu0
InChI InChI=1S/C22H24N2OS/c1-5-11-22(14-23)19(15-9-7-6-8-10-15)18-16(24-20(22)26-4)12-21(2,3)13-17(18)25/h5-10,19H,1,11-13H2,2-4H3
InChIKey KWFVRILVJCCCJS-UHFFFAOYSA-N
Mol Weight 364.51 g/mol
Molecular Formula C22H24N2OS
Exact Mass 364.160935 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Sz4i9Ooicv
Name 3-Allyl-7,7-dimethyl-2-methylsulfanyl-5-oxo-4-phenyl-3,4,5,6,7,8-hexahydro-quinoline-3-carbonitrile
Alternate Name(s) 3-Allyl-5-keto-7,7-dimethyl-2-(methylthio)-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile 3-Allyl-7,7-dimethyl-2-(methylsulfanyl)-5-oxo-4-phenyl-3,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile 3-Allyl-7,7-dimethyl-2-methylsulfanyl-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile 7,7-Dimethyl-2-(methylthio)-5-oxo-4-phenyl-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile 7,7-Dimethyl-2-methylsulfanyl-5-oxidanylidene-4-phenyl-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile 7,7-Dimethyl-2-methylsulfanyl-5-oxo-4-phenyl-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile
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Formula C22H24N2OS
InChI InChI=1S/C22H24N2OS/c1-5-11-22(14-23)19(15-9-7-6-8-10-15)18-16(24-20(22)26-4)12-21(2,3)13-17(18)25/h5-10,19H,1,11-13H2,2-4H3
InChIKey KWFVRILVJCCCJS-UHFFFAOYSA-N
Molecular Weight 364.507 g/mol
SMILES C1(C2=C(N=C(C1(C#N)CC=C)SC)CC(CC2=O)(C)C)c1ccccc1
SPLASH splash10-0006-9310000000-2a5b2969683d1046a05b
Wiley ID 1438658