4-[(4Z)-4-(3-chloro-5-ethoxy-4-isopropoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid

SpectraBase Compound ID	uWC8iODEKT
InChI	InChI=1S/C23H23ClN2O5/c1-5-30-20-12-15(11-19(24)21(20)31-13(2)3)10-18-14(4)25-26(22(18)27)17-8-6-16(7-9-17)23(28)29/h6-13H,5H2,1-4H3,(H,28,29)/b18-10-
InChIKey	HIMJRSYUEJUCBI-ZDLGFXPLSA-N Google Search
Mol Weight	442.9 g/mol
Molecular Formula	C23H23ClN2O5
Exact Mass	442.12955 g/mol

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SpectraBase Spectrum ID	3AC1erZEiUT
Name	4-[(4Z)-4-(3-chloro-5-ethoxy-4-isopropoxybenzylidene)-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/C23H23ClN2O5/c1-5-30-20-12-15(11-19(24)21(20)31-13(2)3)10-18-14(4)25-26(22(18)27)17-8-6-16(7-9-17)23(28)29/h6-13H,5H2,1-4H3,(H,28,29)/b18-10-
InChIKey	HIMJRSYUEJUCBI-ZDLGFXPLSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_13465
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/9139101; UBI_ID: UBI-013468
Synonyms	4-[4-(3-chloro-5-ethoxy-4-isopropoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Temperature	308 °C