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4-(3-fluoroanilino)-2-keto-6-(3-methoxyphenyl)cyclohex-3-ene-1-carboxylic acid ethyl ester
SpectraBase Compound ID 9q4B9PlFBbJ
InChI InChI=1S/C22H22FNO4/c1-3-28-22(26)21-19(14-6-4-9-18(10-14)27-2)12-17(13-20(21)25)24-16-8-5-7-15(23)11-16/h4-11,13,19,21,24H,3,12H2,1-2H3
InChIKey VIMAFEYDMIJIGA-UHFFFAOYSA-N
Mol Weight 383.42 g/mol
Molecular Formula C22H22FNO4
Exact Mass 383.153286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H589IuKqALZ
Name 4-(3-fluoroanilino)-2-keto-6-(3-methoxyphenyl)cyclohex-3-ene-1-carboxylic acid ethyl ester
Alternate Name(s) 4-(3-fluoroanilino)-6-(3-methoxyphenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester Ethyl 4-(3-fluoroanilino)-6-(3-methoxyphenyl)-2-oxo-cyclohex-3-ene-1-carboxylate Ethyl 4-[(3-fluorophenyl)amino]-6-(3-methoxyphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate
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Formula C22H22FNO4
InChI InChI=1S/C22H22FNO4/c1-3-28-22(26)21-19(14-6-4-9-18(10-14)27-2)12-17(13-20(21)25)24-16-8-5-7-15(23)11-16/h4-11,13,19,21,24H,3,12H2,1-2H3
InChIKey VIMAFEYDMIJIGA-UHFFFAOYSA-N
Molecular Weight 383.419 g/mol
SMILES N(C=1CC(C(C(C1)=O)C(=O)OCC)c1cccc(c1)OC)c1cccc(c1)F
SPLASH splash10-01t9-1923000000-3173eb45a788d39a7e0e
Wiley ID 1511536