3-[5-[(E)-[1-(3,4-dimethylphenyl)-3,5-diketo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoic acid methyl ester

SpectraBase Compound ID	Jj5xKqycruF
InChI	InChI=1S/C24H20N2O5/c1-14-7-8-18(11-15(14)2)26-23(28)20(22(27)25-26)13-19-9-10-21(31-19)16-5-4-6-17(12-16)24(29)30-3/h4-13H,1-3H3,(H,25,27)/b20-13+
InChIKey	DERQLWVPWRZIBV-DEDYPNTBSA-N Google Search
Mol Weight	416.43 g/mol
Molecular Formula	C24H20N2O5
Exact Mass	416.137222 g/mol

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SpectraBase Spectrum ID	8KC3A54ZR8
Name	methyl 3-(5-{(E)-[1-(3,4-dimethylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}-2-furyl)benzoate
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C24H20N2O5/c1-14-7-8-18(11-15(14)2)26-23(28)20(22(27)25-26)13-19-9-10-21(31-19)16-5-4-6-17(12-16)24(29)30-3/h4-13H,1-3H3,(H,25,27)/b20-13+
InChIKey	DERQLWVPWRZIBV-DEDYPNTBSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_4991
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: NMR/10322038; Labnumber: 2714; IOH_ID: IOH-004992
Synonyms	methyl 3-(5-{[1-(3,4-dimethylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}-2-furyl)benzoate