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Methyl 1-acetyl-5-(4-ethylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
SpectraBase Compound ID 28hOjbYBLeM
InChI InChI=1S/C17H17N3O5/c1-4-10-5-7-11(8-6-10)19-15(22)12-13(17(24)25-3)18-20(9(2)21)14(12)16(19)23/h5-8,12,14H,4H2,1-3H3
InChIKey CFWLHQWKXNXVMV-UHFFFAOYSA-N
Mol Weight 343.34 g/mol
Molecular Formula C17H17N3O5
Exact Mass 343.116821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B22TKFHR1sG
Name Methyl 1-acetyl-5-(4-ethylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Alternate Name(s) 1-Acetyl-5-(4-ethylphenyl)-4,6-diketo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester 1-Acetyl-5-(4-ethylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester Methyl 1-acetyl-5-(4-ethylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate Methyl 1-ethanoyl-5-(4-ethylphenyl)-4,6-bis(oxidanylidene)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate Pyrrolo[3,4-c]pyrazole-3-carboxylic acid, 1-acetyl-5-(4-ethylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydro-, methyl ester
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Formula C17H17N3O5
InChI InChI=1S/C17H17N3O5/c1-4-10-5-7-11(8-6-10)19-15(22)12-13(17(24)25-3)18-20(9(2)21)14(12)16(19)23/h5-8,12,14H,4H2,1-3H3
InChIKey CFWLHQWKXNXVMV-UHFFFAOYSA-N
Molecular Weight 343.339 g/mol
SMILES C12C(N(C(=O)C)N=C2C(=O)OC)C(=O)N(C1=O)c1ccc(cc1)CC
SPLASH splash10-0007-9802000000-e7be8352dbfcd6efabce
Wiley ID 1447236