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3,5-dioxo-1,2-diphenyl-4-pyrazolidinemalonic acid, diethyl ester
SpectraBase Compound ID AcIfiSNXLlB
InChI InChI=1S/C22H22N2O6/c1-3-29-21(27)18(22(28)30-4-2)17-19(25)23(15-11-7-5-8-12-15)24(20(17)26)16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3
InChIKey XEMGYZYJAUYWMF-UHFFFAOYSA-N
Mol Weight 410.43 g/mol
Molecular Formula C22H22N2O6
Exact Mass 410.147786 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GQO4Btti00M
Name 3,5-dioxo-1,2-diphenyl-4-pyrazolidinemalonic acid, diethyl ester
Source of Sample C. CARDANI, POLITECNICO DI MILANO, MILAN, ITALY
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Formula C22H22N2O6
InChI InChI=1S/C22H22N2O6/c1-3-29-21(27)18(22(28)30-4-2)17-19(25)23(15-11-7-5-8-12-15)24(20(17)26)16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3
InChIKey XEMGYZYJAUYWMF-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 4150M
Solvent CDCl3
Synonyms (3,5-DIOXO-1,2-DIPHENYLPYRAZOLIDIN-4-YL)MALONIC ACID, DIETHYL ESTER MALONIC ACID, /3,5-DIOXO-1,2- DIPHENYLPYRAZOLIDIN-4-YL/-, DIETHYL ESTER 4-PYRAZOLIDINEMALONIC ACID, 3,5- DIOXO-1,2-DIPHENYL-, DIETHYL ESTER