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3-[(4Z)-4-(4-isopropoxy-3-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
SpectraBase Compound ID 6S9wXHn9KEn
InChI InChI=1S/C22H22N2O5/c1-13(2)29-19-9-8-15(11-20(19)28-4)10-18-14(3)23-24(21(18)25)17-7-5-6-16(12-17)22(26)27/h5-13H,1-4H3,(H,26,27)/b18-10-
InChIKey STWZZCLUGZDJLV-ZDLGFXPLSA-N
Mol Weight 394.43 g/mol
Molecular Formula C22H22N2O5
Exact Mass 394.152872 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 16T3gE6y3BT
Name 3-[(4Z)-4-(4-isopropoxy-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/C22H22N2O5/c1-13(2)29-19-9-8-15(11-20(19)28-4)10-18-14(3)23-24(21(18)25)17-7-5-6-16(12-17)22(26)27/h5-13H,1-4H3,(H,26,27)/b18-10-
InChIKey STWZZCLUGZDJLV-ZDLGFXPLSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7071
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/8190408; UBI_ID: UBI-007074
Synonyms 3-[4-(4-isopropoxy-3-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Temperature 313 °C