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(2-{(Z)-[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetic acid
SpectraBase Compound ID GygY7u0pwBp
InChI InChI=1S/C20H18N2O4/c1-13-7-9-16(10-8-13)22-20(25)17(14(2)21-22)11-15-5-3-4-6-18(15)26-12-19(23)24/h3-11H,12H2,1-2H3,(H,23,24)/b17-11-
InChIKey NYWCLYBNKBIECA-BOPFTXTBSA-N
Mol Weight 350.37 g/mol
Molecular Formula C20H18N2O4
Exact Mass 350.126657 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LePaus6yCca
Name (2-{(Z)-[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetic 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/C20H18N2O4/c1-13-7-9-16(10-8-13)22-20(25)17(14(2)21-22)11-15-5-3-4-6-18(15)26-12-19(23)24/h3-11H,12H2,1-2H3,(H,23,24)/b17-11-
InChIKey NYWCLYBNKBIECA-BOPFTXTBSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7192
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/8194019; UBI_ID: UBI-007195
Synonyms (2-{[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetic acid
Temperature 308 °C