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3-((4Z)-4-{4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
SpectraBase Compound ID 5fN3njrVhiu
InChI InChI=1S/C26H21ClN2O5/c1-16-21(25(30)29(28-16)20-8-5-7-18(14-20)26(31)32)12-17-10-11-23(24(13-17)33-2)34-15-19-6-3-4-9-22(19)27/h3-14H,15H2,1-2H3,(H,31,32)/b21-12-
InChIKey JCVRVZGNOCYRKJ-MTJSOVHGSA-N
Mol Weight 476.92 g/mol
Molecular Formula C26H21ClN2O5
Exact Mass 476.113899 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7myecRyJITf
Name 3-((4Z)-4-{4-[(2-chlorobenzyl)oxy]-3-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/C26H21ClN2O5/c1-16-21(25(30)29(28-16)20-8-5-7-18(14-20)26(31)32)12-17-10-11-23(24(13-17)33-2)34-15-19-6-3-4-9-22(19)27/h3-14H,15H2,1-2H3,(H,31,32)/b21-12-
InChIKey JCVRVZGNOCYRKJ-MTJSOVHGSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6020
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/8176673; UBI_ID: UBI-006022
Synonyms 3-(4-{4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Temperature 308 °C