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Propanedioic acid, (3,5-dioxo-1,2-diphenyl-4-pyrazolidinylidene)-, diethyl ester
SpectraBase Compound ID ITVRNYNYdyX
InChI InChI=1S/C22H20N2O6/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/h5-14H,3-4H2,1-2H3
InChIKey HXGHYTBEWMXNTA-UHFFFAOYSA-N
Mol Weight 408.41 g/mol
Molecular Formula C22H20N2O6
Exact Mass 408.132136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CfIw31OzfZ0
Name Propanedioic acid, (3,5-dioxo-1,2-diphenyl-4-pyrazolidinylidene)-, diethyl ester
Alternate Name(s) 1,2-Diphenyl-4-[(dicarbetossi)methylene]-pyrazolidin-3,5-dione Diethyl 2-(3,5-dioxo-1,2-diphenyl-4-pyrazolidinylidene)malonate
CAS Registry Number 57488-08-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N2O6
InChI InChI=1S/C22H20N2O6/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/h5-14H,3-4H2,1-2H3
InChIKey HXGHYTBEWMXNTA-UHFFFAOYSA-N
Molecular Weight 408.410 g/mol
SMILES C1(C(N(c2ccccc2)N(C1=O)c1ccccc1)=O)=C(C(=O)OCC)C(=O)OCC
SPLASH splash10-004i-9720100000-e6e81530c4f18763d148
Source of Spectrum O-10-608-1
Wiley ID 1372912