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4-{[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]amino}-4-oxobutanoic acid
SpectraBase Compound ID GwpsIAhXkrr
InChI InChI=1S/C22H23N3O4/c1-15-22(23-20(26)11-12-21(27)28)16(2)25(24-15)14-17-7-6-10-19(13-17)29-18-8-4-3-5-9-18/h3-10,13H,11-12,14H2,1-2H3,(H,23,26)(H,27,28)
InChIKey WOSIKKOPTJKCLS-UHFFFAOYSA-N
Mol Weight 393.44 g/mol
Molecular Formula C22H23N3O4
Exact Mass 393.168856 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DAFQYN6vN30
Name 4-{[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]amino}-4-oxobutanoic 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/C22H23N3O4/c1-15-22(23-20(26)11-12-21(27)28)16(2)25(24-15)14-17-7-6-10-19(13-17)29-18-8-4-3-5-9-18/h3-10,13H,11-12,14H2,1-2H3,(H,23,26)(H,27,28)
InChIKey WOSIKKOPTJKCLS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_4183
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/9132062; Labnumber: BAM_UACK/004881; UZI_ID: UZI-004185
Temperature 318 °C