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2-keto-6-(3-methoxyphenyl)-4-[2-(trifluoromethyl)anilino]cyclohex-3-ene-1-carboxylic acid ethyl ester
SpectraBase Compound ID J8Y4qgMhKIb
InChI InChI=1S/C23H22F3NO4/c1-3-31-22(29)21-17(14-7-6-8-16(11-14)30-2)12-15(13-20(21)28)27-19-10-5-4-9-18(19)23(24,25)26/h4-11,13,17,21,27H,3,12H2,1-2H3
InChIKey RRQRAMVDZPPYQE-UHFFFAOYSA-N
Mol Weight 433.43 g/mol
Molecular Formula C23H22F3NO4
Exact Mass 433.150093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EopyqMGoUcU
Name 2-keto-6-(3-methoxyphenyl)-4-[2-(trifluoromethyl)anilino]cyclohex-3-ene-1-carboxylic acid ethyl ester
Alternate Name(s) 6-(3-Methoxyphenyl)-2-oxo-4-[2-(trifluoromethyl)anilino]-1-cyclohex-3-enecarboxylic acid ethyl ester Ethyl 6-(3-methoxyphenyl)-2-oxidanylidene-4-[[2-(trifluoromethyl)phenyl]amino]cyclohex-3-ene-1-carboxylate Ethyl 6-(3-methoxyphenyl)-2-oxo-4-[2-(trifluoromethyl)anilino]cyclohex-3-ene-1-carboxylate
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Formula C23H22F3NO4
InChI InChI=1S/C23H22F3NO4/c1-3-31-22(29)21-17(14-7-6-8-16(11-14)30-2)12-15(13-20(21)28)27-19-10-5-4-9-18(19)23(24,25)26/h4-11,13,17,21,27H,3,12H2,1-2H3
InChIKey RRQRAMVDZPPYQE-UHFFFAOYSA-N
Molecular Weight 433.427 g/mol
SMILES N(c1ccccc1C(F)(F)F)C=1CC(c2cccc(c2)OC)C(C(C1)=O)C(=O)OCC
SPLASH splash10-06w9-1954100000-28bd6002dd71d166c75f
Wiley ID 1445400