4-{(4E)-4-[4-(acetyloxy)-3-ethoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid

SpectraBase Compound ID	HQrIeXz9IT2
InChI	InChI=1S/C22H20N2O6/c1-4-29-20-12-15(5-10-19(20)30-14(3)25)11-18-13(2)23-24(21(18)26)17-8-6-16(7-9-17)22(27)28/h5-12H,4H2,1-3H3,(H,27,28)/b18-11+
InChIKey	WDJUFWASONFNMT-WOJGMQOQSA-N Google Search
Mol Weight	408.41 g/mol
Molecular Formula	C22H20N2O6
Exact Mass	408.132136 g/mol

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SpectraBase Spectrum ID	CTt5J839ob7
Name	4-{(4E)-4-[4-(acetyloxy)-3-ethoxybenzylidene]-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/C22H20N2O6/c1-4-29-20-12-15(5-10-19(20)30-14(3)25)11-18-13(2)23-24(21(18)26)17-8-6-16(7-9-17)22(27)28/h5-12H,4H2,1-3H3,(H,27,28)/b18-11+
InChIKey	WDJUFWASONFNMT-WOJGMQOQSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_16042
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/8065153; UBI_ID: UBI-016045
Synonyms	4-{4-[4-(acetyloxy)-3-ethoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Temperature	308 °C