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4-[2-ethyl-4-methyl-6-(trifluoromethyl)-8-quinolinyl]benzoic acid ethyl ester
SpectraBase Compound ID BF2YmKhcHiY
InChI InChI=1S/C22H20F3NO2/c1-4-17-10-13(3)18-11-16(22(23,24)25)12-19(20(18)26-17)14-6-8-15(9-7-14)21(27)28-5-2/h6-12H,4-5H2,1-3H3
InChIKey MJAQBMMYZYUNAU-UHFFFAOYSA-N
Mol Weight 387.4 g/mol
Molecular Formula C22H20F3NO2
Exact Mass 387.144613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bx42BQiSv7r
Name 4-[2-ethyl-4-methyl-6-(trifluoromethyl)-8-quinolinyl]benzoic acid ethyl ester
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Formula C22H20F3NO2
InChI InChI=1S/C22H20F3NO2/c1-4-17-10-13(3)18-11-16(22(23,24)25)12-19(20(18)26-17)14-6-8-15(9-7-14)21(27)28-5-2/h6-12H,4-5H2,1-3H3
InChIKey MJAQBMMYZYUNAU-UHFFFAOYSA-N
Molecular Weight 387.402 g/mol
SMILES C(c1ccc(cc1)-c1cc(cc2c(cc(nc12)CC)C)C(F)(F)F)(=O)OCC
SPLASH splash10-000i-0009000000-1a681b9b893fd4ffffcb
Source of Spectrum CV-2003-241-4
Synonyms 4-[2-ethyl-4-methyl-6-(trifluoromethyl)-8-quinolyl]benzoic acid ethyl ester Ethyl 4-[2-ethyl-4-methyl-6-(trifluoromethyl)-8-quinolyl]benzoate Ethyl 4-[2-ethyl-4-methyl-6-(trifluoromethyl)quinolin-8-yl]benzoate
Wiley ID 1610810