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2-keto-6-phenyl-4-[3-(trifluoromethyl)anilino]cyclohex-3-ene-1-carboxylic acid methyl ester
SpectraBase Compound ID KCfPWtKlKW
InChI InChI=1S/C21H18F3NO3/c1-28-20(27)19-17(13-6-3-2-4-7-13)11-16(12-18(19)26)25-15-9-5-8-14(10-15)21(22,23)24/h2-10,12,17,19,25H,11H2,1H3
InChIKey SBODGHGPPUOMPZ-UHFFFAOYSA-N
Mol Weight 389.37 g/mol
Molecular Formula C21H18F3NO3
Exact Mass 389.123878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6BJQD5K9zI3
Name 2-keto-6-phenyl-4-[3-(trifluoromethyl)anilino]cyclohex-3-ene-1-carboxylic acid methyl ester
Alternate Name(s) 2-Oxo-6-phenyl-4-[3-(trifluoromethyl)anilino]-1-cyclohex-3-enecarboxylic acid methyl ester Methyl 2-oxidanylidene-6-phenyl-4-[[3-(trifluoromethyl)phenyl]amino]cyclohex-3-ene-1-carboxylate Methyl 2-oxo-6-phenyl-4-[3-(trifluoromethyl)anilino]cyclohex-3-ene-1-carboxylate
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Formula C21H18F3NO3
InChI InChI=1S/C21H18F3NO3/c1-28-20(27)19-17(13-6-3-2-4-7-13)11-16(12-18(19)26)25-15-9-5-8-14(10-15)21(22,23)24/h2-10,12,17,19,25H,11H2,1H3
InChIKey SBODGHGPPUOMPZ-UHFFFAOYSA-N
Molecular Weight 389.374 g/mol
SMILES N(C=1CC(C(C(C1)=O)C(=O)OC)c1ccccc1)c1cccc(c1)C(F)(F)F
SPLASH splash10-004i-2986000000-eefd93855b0566879f10
Wiley ID 1511537