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4-{(4Z)-4-[4-(benzyloxy)-2-bromo-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
SpectraBase Compound ID JKvQhiW9zS3
InChI InChI=1S/C26H21BrN2O5/c1-16-21(25(30)29(28-16)20-10-8-18(9-11-20)26(31)32)12-19-13-23(33-2)24(14-22(19)27)34-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,31,32)/b21-12-
InChIKey CXHAZCQZZDAWFC-MTJSOVHGSA-N
Mol Weight 521.37 g/mol
Molecular Formula C26H21BrN2O5
Exact Mass 520.063385 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G3ic1qBCGjg
Name 4-{(4Z)-4-[4-(benzyloxy)-2-bromo-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/C26H21BrN2O5/c1-16-21(25(30)29(28-16)20-10-8-18(9-11-20)26(31)32)12-19-13-23(33-2)24(14-22(19)27)34-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,31,32)/b21-12-
InChIKey CXHAZCQZZDAWFC-MTJSOVHGSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7538
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/8200035; UBI_ID: UBI-007541
Synonyms 4-{4-[4-(benzyloxy)-2-bromo-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Temperature 308 °C