3-[(4Z)-4-(2-bromo-5-methoxy-4-propoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid

SpectraBase Compound ID	LfxbL7Lypua
InChI	InChI=1S/C22H21BrN2O5/c1-4-8-30-20-12-18(23)15(11-19(20)29-3)10-17-13(2)24-25(21(17)26)16-7-5-6-14(9-16)22(27)28/h5-7,9-12H,4,8H2,1-3H3,(H,27,28)/b17-10-
InChIKey	VNOUGPUJEOPUKF-YVLHZVERSA-N Google Search
Mol Weight	473.32 g/mol
Molecular Formula	C22H21BrN2O5
Exact Mass	472.063385 g/mol

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SpectraBase Spectrum ID	HvjkvMCeJeO
Name	3-[(4Z)-4-(2-bromo-5-methoxy-4-propoxybenzylidene)-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/C22H21BrN2O5/c1-4-8-30-20-12-18(23)15(11-19(20)29-3)10-17-13(2)24-25(21(17)26)16-7-5-6-14(9-16)22(27)28/h5-7,9-12H,4,8H2,1-3H3,(H,27,28)/b17-10-
InChIKey	VNOUGPUJEOPUKF-YVLHZVERSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_7109
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/8191461; UBI_ID: UBI-007112
Synonyms	3-[4-(2-bromo-5-methoxy-4-propoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Temperature	313 °C