5-(4-Ethylphenyl)-1-(2-methyl-4-oxopentan-2-yl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester

SpectraBase Compound ID	CivsPWXG71M
InChI	InChI=1S/C21H25N3O5/c1-6-13-7-9-14(10-8-13)23-18(26)15-16(20(28)29-5)22-24(17(15)19(23)27)21(3,4)11-12(2)25/h7-10,15,17H,6,11H2,1-5H3
InChIKey	JMZOTPWGACIOHV-UHFFFAOYSA-N Google Search
Mol Weight	399.45 g/mol
Molecular Formula	C21H25N3O5
Exact Mass	399.179421 g/mol

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SpectraBase Spectrum ID	FdOJbkE1cmg
Name	5-(4-Ethylphenyl)-1-(2-methyl-4-oxopentan-2-yl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester
Alternate Name(s)	5-(4-Ethylphenyl)-4,6-diketo-1-(3-keto-1,1-dimethyl-butyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester Methyl 1-(1,1-dimethyl-3-oxo-butyl)-5-(4-ethylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate Methyl 5-(4-ethylphenyl)-1-(2-methyl-4-oxidanylidene-pentan-2-yl)-4,6-bis(oxidanylidene)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate Methyl 5-(4-ethylphenyl)-1-(2-methyl-4-oxopentan-2-yl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate Pyrrolo[3,4-c]pyrazole-3-carboxylic acid, 1-(1,1-dimethyl-3-oxobutyl)-5-(4-ethylphenyl)-1,3a,4,5,6,6a-hexahydro-4,6-dioxo-, methyl ester
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Formula	C21H25N3O5
InChI	InChI=1S/C21H25N3O5/c1-6-13-7-9-14(10-8-13)23-18(26)15-16(20(28)29-5)22-24(17(15)19(23)27)21(3,4)11-12(2)25/h7-10,15,17H,6,11H2,1-5H3
InChIKey	JMZOTPWGACIOHV-UHFFFAOYSA-N
Molecular Weight	399.447 g/mol
SMILES	C12C(N(C(CC(=O)C)(C)C)N=C2C(=O)OC)C(=O)N(C1=O)c1ccc(cc1)CC
SPLASH	splash10-0006-9408000000-54ced6f766d645189cd8
Wiley ID	1449495