5-chloro-2-{5-[(Z)-(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-2-furyl}benzoic acid

SpectraBase Compound ID	HJVbTbm97aP
InChI	InChI=1S/C21H13ClN2O5/c22-12-6-8-15(16(10-12)21(27)28)18-9-7-14(29-18)11-17-19(25)23-24(20(17)26)13-4-2-1-3-5-13/h1-11H,(H,23,25)(H,27,28)/b17-11-
InChIKey	MYLHPCDQOTUIBW-BOPFTXTBSA-N Google Search
Mol Weight	408.8 g/mol
Molecular Formula	C21H13ClN2O5
Exact Mass	408.051299 g/mol

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SpectraBase Spectrum ID	Bbp7lmvVwFq
Name	5-chloro-2-{5-[(Z)-(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-2-furyl}benzoic acid
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/C21H13ClN2O5/c22-12-6-8-15(16(10-12)21(27)28)18-9-7-14(29-18)11-17-19(25)23-24(20(17)26)13-4-2-1-3-5-13/h1-11H,(H,23,25)(H,27,28)/b17-11-
InChIKey	MYLHPCDQOTUIBW-BOPFTXTBSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_6072
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/11242281; Labnumber: SAD-0002924; IOH_ID: IOH-006073
Synonyms	5-chloro-2-{5-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-2-furyl}benzoic acid