4-{[(2-methoxy-4-{(Z)-[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetyl]amino}benzoic acid

SpectraBase Compound ID	GxKkwvHYN1u
InChI	InChI=1S/C28H25N3O6/c1-17-4-11-22(12-5-17)31-27(33)23(18(2)30-31)14-19-6-13-24(25(15-19)36-3)37-16-26(32)29-21-9-7-20(8-10-21)28(34)35/h4-15H,16H2,1-3H3,(H,29,32)(H,34,35)/b23-14-
InChIKey	QWNLFPWJVCLBOT-UCQKPKSFSA-N Google Search
Mol Weight	499.52 g/mol
Molecular Formula	C28H25N3O6
Exact Mass	499.174336 g/mol

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SpectraBase Spectrum ID	5LpaHvtYCt2
Name	4-{[(2-methoxy-4-{(Z)-[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetyl]amino}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/C28H25N3O6/c1-17-4-11-22(12-5-17)31-27(33)23(18(2)30-31)14-19-6-13-24(25(15-19)36-3)37-16-26(32)29-21-9-7-20(8-10-21)28(34)35/h4-15H,16H2,1-3H3,(H,29,32)(H,34,35)/b23-14-
InChIKey	QWNLFPWJVCLBOT-UCQKPKSFSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_13457
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/9136262; UBI_ID: UBI-013460
Synonyms	4-{[(2-methoxy-4-{[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetyl]amino}benzoic acid
Temperature	308 °C