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3-[(4E)-4-(3-ethoxy-4-hydroxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
SpectraBase Compound ID 6KnCicTLXUF
InChI InChI=1S/C20H18N2O5/c1-3-27-18-10-13(7-8-17(18)23)9-16-12(2)21-22(19(16)24)15-6-4-5-14(11-15)20(25)26/h4-11,23H,3H2,1-2H3,(H,25,26)/b16-9+
InChIKey CDXMJJGNLOEUFU-CXUHLZMHSA-N
Mol Weight 366.37 g/mol
Molecular Formula C20H18N2O5
Exact Mass 366.121572 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 91HKF1ZKW4K
Name 3-[(4E)-4-(3-ethoxy-4-hydroxybenzylidene)-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/C20H18N2O5/c1-3-27-18-10-13(7-8-17(18)23)9-16-12(2)21-22(19(16)24)15-6-4-5-14(11-15)20(25)26/h4-11,23H,3H2,1-2H3,(H,25,26)/b16-9+
InChIKey CDXMJJGNLOEUFU-CXUHLZMHSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_5056
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/8058680; Labnumber: BMW-100800A; UZI_ID: UZI-005058
Synonyms 3-[4-(3-ethoxy-4-hydroxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Temperature 313 °C