John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=AcIfiSNXLlB SpectraBase Spectrum ID=KNfz8m30Tmy

(accessed ).
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 410.147787 g/mol

Mass Spectrum (MS)

Mass Spectrum (MS)

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SpectraBase Spectrum ID KNfz8m30Tmy
Name Propanedioic acid, (3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)-, diethyl ester
Alternate Name(s) 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
CAS Registry Number 6139-70-4
Classification Benzene and substituted derivatives
Copyright Copyright © 2020-2021 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
SPLASH splash10-004r-9515300000-416dbf5f0bb3d8b487d8
Source of Spectrum O-10-608-1
SpectraBase Batch ID 5qh3CuCp1ND