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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2O9WUhsyJZZ
Name Propanedioic acid, (3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)-, diethyl ester
CAS Registry Number 6139-70-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Molecular Weight 410.426 g/mol
SMILES CCOC(C(C1C(N(c2ccccc2)N(c2ccccc2)C1=O)=O)C(=O)OCC)=O
SPLASH splash10-004r-9515300000-416dbf5f0bb3d8b487d8
Source of Spectrum O-10-608-1
Synonyms Diethyl 2-(3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)malonate 2-(3,5-diketo-1,2-diphenyl-pyrazolidin-4-yl)malonic acid diethyl ester 2-(3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)propanedioic acid diethyl ester Diethyl 2-(3,5-dioxo-1,2-diphenyl-pyrazolidin-4-yl)propanedioate Diethyl 2-[3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]propanedioate
Wiley ID 1373609