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3-[5-[(E)-[1-(3,4-dimethylphenyl)-3,5-diketo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoic acid methyl ester
SpectraBase Compound ID Jj5xKqycruF
InChI InChI=1S/C24H20N2O5/c1-14-7-8-18(11-15(14)2)26-23(28)20(22(27)25-26)13-19-9-10-21(31-19)16-5-4-6-17(12-16)24(29)30-3/h4-13H,1-3H3,(H,25,27)/b20-13+
InChIKey DERQLWVPWRZIBV-DEDYPNTBSA-N
Mol Weight 416.43 g/mol
Molecular Formula C24H20N2O5
Exact Mass 416.137222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IbqL5aKxdUM
Name 3-[5-[(E)-[1-(3,4-dimethylphenyl)-3,5-diketo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoic acid methyl ester
Alternate Name(s) 3-[5-[(E)-[1-(3,4-dimethylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]-2-furanyl]benzoic acid methyl ester Methyl 3-(5-{[1-(3,4-dimethylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}-2-furyl)benzoate Methyl 3-[5-[(E)-[1-(3,4-dimethylphenyl)-3,5-bis(oxidanylidene)pyrazolidin-4-ylidene]methyl]furan-2-yl]benzoate Methyl 3-[5-[(E)-[1-(3,4-dimethylphenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoate Methyl 3-[5-[(E)-[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoate
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Formula C24H20N2O5
InChI InChI=1S/C24H20N2O5/c1-14-7-8-18(11-15(14)2)26-23(28)20(22(27)25-26)13-19-9-10-21(31-19)16-5-4-6-17(12-16)24(29)30-3/h4-13H,1-3H3,(H,25,27)/b20-13+
InChIKey DERQLWVPWRZIBV-DEDYPNTBSA-N
Molecular Weight 416.433 g/mol
SMILES N1N(C(\C(C1=O)=C/c1oc(-c2cc(C(=O)OC)ccc2)cc1)=O)c1cc(C)c(cc1)C
SPLASH splash10-0avu-9820200000-e139cf2e76c24f196bdd
Wiley ID 1460932