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3-[(4Z)-4-(3,4-dimethoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
SpectraBase Compound ID FCpWHaAeULO
InChI InChI=1S/C20H18N2O5/c1-12-16(9-13-7-8-17(26-2)18(10-13)27-3)19(23)22(21-12)15-6-4-5-14(11-15)20(24)25/h4-11H,1-3H3,(H,24,25)/b16-9-
InChIKey OFURJNOVUGHIST-SXGWCWSVSA-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 7i2OHvrBS0B
Name 3-[(4Z)-4-(3,4-dimethoxybenzylidene)-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/c1-12-16(9-13-7-8-17(26-2)18(10-13)27-3)19(23)22(21-12)15-6-4-5-14(11-15)20(24)25/h4-11H,1-3H3,(H,24,25)/b16-9-
InChIKey OFURJNOVUGHIST-SXGWCWSVSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7804
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/9015459; UBI_ID: UBI-007807
Synonyms 3-[4-(3,4-dimethoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Temperature 308 °C