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4-Methyl-2-(3-nitro-phenyl)-6-oxo-cyclohex-4-ene-1,3-dicarboxylic acid diethyl ester
SpectraBase Compound ID JDFPJKI5V3C
InChI InChI=1S/C19H21NO7/c1-4-26-18(22)15-11(3)9-14(21)17(19(23)27-5-2)16(15)12-7-6-8-13(10-12)20(24)25/h6-10,15-17H,4-5H2,1-3H3
InChIKey FRNMTWXQMUDELL-UHFFFAOYSA-N
Mol Weight 375.38 g/mol
Molecular Formula C19H21NO7
Exact Mass 375.131802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2mghwwuyB6
Name 4-Methyl-2-(3-nitro-phenyl)-6-oxo-cyclohex-4-ene-1,3-dicarboxylic acid diethyl ester
Alternate Name(s) 6-keto-4-methyl-2-(3-nitrophenyl)cyclohex-4-ene-1,3-dicarboxylic acid diethyl ester Diethyl 4-methyl-2-(3-nitrophenyl)-6-oxidanylidene-cyclohex-4-ene-1,3-dicarboxylate Diethyl 4-methyl-2-(3-nitrophenyl)-6-oxo-4-cyclohexene-1,3-dicarboxylate Diethyl 4-methyl-2-(3-nitrophenyl)-6-oxo-cyclohex-4-ene-1,3-dicarboxylate 4-Methyl-2-(3-nitrophenyl)-6-oxocyclohex-4-ene-1,3-dicarboxylic acid diethyl ester
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Formula C19H21NO7
InChI InChI=1S/C19H21NO7/c1-4-26-18(22)15-11(3)9-14(21)17(19(23)27-5-2)16(15)12-7-6-8-13(10-12)20(24)25/h6-10,15-17H,4-5H2,1-3H3
InChIKey FRNMTWXQMUDELL-UHFFFAOYSA-N
Molecular Weight 375.377 g/mol
SMILES C1(C(C(C(=O)OCC)C(=CC1=O)C)c1cc(N(=O)=O)ccc1)C(=O)OCC
SPLASH splash10-0pb9-1893000000-0547e2fad446e28f9dd6
Wiley ID 1464211