4-[(4E)-4-(3-chloro-4,5-dimethoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid

SpectraBase Compound ID	IXUzZNUt9kK
InChI	InChI=1S/C20H17ClN2O5/c1-11-15(8-12-9-16(21)18(28-3)17(10-12)27-2)19(24)23(22-11)14-6-4-13(5-7-14)20(25)26/h4-10H,1-3H3,(H,25,26)/b15-8+
InChIKey	PTKDJNZBNYDOCK-OVCLIPMQSA-N Google Search
Mol Weight	400.82 g/mol
Molecular Formula	C20H17ClN2O5
Exact Mass	400.082599 g/mol

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SpectraBase Spectrum ID	LYUXn3d8wg6
Name	4-[(4E)-4-(3-chloro-4,5-dimethoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]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/C20H17ClN2O5/c1-11-15(8-12-9-16(21)18(28-3)17(10-12)27-2)19(24)23(22-11)14-6-4-13(5-7-14)20(25)26/h4-10H,1-3H3,(H,25,26)/b15-8+
InChIKey	PTKDJNZBNYDOCK-OVCLIPMQSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_16556
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: UZI/8139442; UBI_ID: UBI-016559
Synonyms	4-[4-(3-chloro-4,5-dimethoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Temperature	308 °C