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3-{(4Z)-4-[2-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid

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3-{(4Z)-4-[2-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
SpectraBase Compound ID 938be61fnDY
InChI InChI=1S/C23H21BrN2O7/c1-4-32-21(27)12-33-20-11-18(24)15(10-19(20)31-3)9-17-13(2)25-26(22(17)28)16-7-5-6-14(8-16)23(29)30/h5-11H,4,12H2,1-3H3,(H,29,30)/b17-9-
InChIKey PTLFCOUVJWWLFM-MFOYZWKCSA-N
Mol Weight 517.33 g/mol
Molecular Formula C23H21BrN2O7
Exact Mass 516.053214 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2vaOqCevqq2
Name 3-{(4Z)-4-[2-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxybenzylidene]-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/C23H21BrN2O7/c1-4-32-21(27)12-33-20-11-18(24)15(10-19(20)31-3)9-17-13(2)25-26(22(17)28)16-7-5-6-14(8-16)23(29)30/h5-11H,4,12H2,1-3H3,(H,29,30)/b17-9-
InChIKey PTLFCOUVJWWLFM-MFOYZWKCSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6035
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/8176977; UBI_ID: UBI-006037
Synonyms 3-{4-[2-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Temperature 308 °C