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2-keto-4-(2-methyl-5-nitro-anilino)-6-phenyl-cyclohex-3-ene-1-carboxylic acid ethyl ester
SpectraBase Compound ID IGYcKJtMMn0
InChI InChI=1S/C22H22N2O5/c1-3-29-22(26)21-18(15-7-5-4-6-8-15)11-16(12-20(21)25)23-19-13-17(24(27)28)10-9-14(19)2/h4-10,12-13,18,21,23H,3,11H2,1-2H3
InChIKey IMFKAJVJQYZBAB-UHFFFAOYSA-N
Mol Weight 394.43 g/mol
Molecular Formula C22H22N2O5
Exact Mass 394.152872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DEA3D9IrpZx
Name 2-keto-4-(2-methyl-5-nitro-anilino)-6-phenyl-cyclohex-3-ene-1-carboxylic acid ethyl ester
Alternate Name(s) 4-(2-Methyl-5-nitroanilino)-2-oxo-6-phenyl-1-cyclohex-3-enecarboxylic acid ethyl ester Ethyl 4-(2-methyl-5-nitro-anilino)-2-oxo-6-phenyl-cyclohex-3-ene-1-carboxylate Ethyl 4-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-6-phenyl-cyclohex-3-ene-1-carboxylate
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Formula C22H22N2O5
InChI InChI=1S/C22H22N2O5/c1-3-29-22(26)21-18(15-7-5-4-6-8-15)11-16(12-20(21)25)23-19-13-17(24(27)28)10-9-14(19)2/h4-10,12-13,18,21,23H,3,11H2,1-2H3
InChIKey IMFKAJVJQYZBAB-UHFFFAOYSA-N
Molecular Weight 394.427 g/mol
SMILES N(C=1CC(C(C(C1)=O)C(=O)OCC)c1ccccc1)c1cc(ccc1C)N(=O)=O
SPLASH splash10-0gel-7922000000-8d29bb19798f4ff9a666
Wiley ID 1445338