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7,7-Dimethyl-4-(3-thienyl)-1-[4-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione
SpectraBase Compound ID C8891EgKel7
InChI InChI=1S/C22H20F3NO2S/c1-21(2)10-17-20(18(27)11-21)16(13-7-8-29-12-13)9-19(28)26(17)15-5-3-14(4-6-15)22(23,24)25/h3-8,12,16H,9-11H2,1-2H3
InChIKey JAYXKFSQILDIKZ-UHFFFAOYSA-N
Mol Weight 419.46 g/mol
Molecular Formula C22H20F3NO2S
Exact Mass 419.116685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BpJL1ENzIYb
Name 7,7-Dimethyl-4-(3-thienyl)-1-[4-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione
Alternate Name(s) 7,7-Dimethyl-4-(3-thienyl)-1-[4-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydroquinoline-2,5-quinone 7,7-Dimethyl-4-(3-thiophenyl)-1-[4-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione 7,7-Dimethyl-4-thiophen-3-yl-1-[4-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydroquinoline-2,5-dione
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Formula C22H20F3NO2S
InChI InChI=1S/C22H20F3NO2S/c1-21(2)10-17-20(18(27)11-21)16(13-7-8-29-12-13)9-19(28)26(17)15-5-3-14(4-6-15)22(23,24)25/h3-8,12,16H,9-11H2,1-2H3
InChIKey JAYXKFSQILDIKZ-UHFFFAOYSA-N
Molecular Weight 419.462 g/mol
SMILES CC1(CC2=C(C(C1)=O)C(CC(=O)N2c1ccc(cc1)C(F)(F)F)c1cscc1)C
SPLASH splash10-069d-7935300000-c5112d065d67688a1068
Wiley ID 1445372