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4-((4Z)-4-{4-[2-(4-carboxyanilino)-2-oxoethoxy]-3-methoxybenzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
SpectraBase Compound ID GSJM3wBa1UX
InChI InChI=1S/C28H23N3O8/c1-16-22(26(33)31(30-16)21-10-6-19(7-11-21)28(36)37)13-17-3-12-23(24(14-17)38-2)39-15-25(32)29-20-8-4-18(5-9-20)27(34)35/h3-14H,15H2,1-2H3,(H,29,32)(H,34,35)(H,36,37)/b22-13-
InChIKey SGXAEDAUXBPTCC-XKZIYDEJSA-N
Mol Weight 529.51 g/mol
Molecular Formula C28H23N3O8
Exact Mass 529.148515 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9VpFeBJfSrr
Name 4-((4Z)-4-{4-[2-(4-carboxyanilino)-2-oxoethoxy]-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/C28H23N3O8/c1-16-22(26(33)31(30-16)21-10-6-19(7-11-21)28(36)37)13-17-3-12-23(24(14-17)38-2)39-15-25(32)29-20-8-4-18(5-9-20)27(34)35/h3-14H,15H2,1-2H3,(H,29,32)(H,34,35)(H,36,37)/b22-13-
InChIKey SGXAEDAUXBPTCC-XKZIYDEJSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6863
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/8189505; UBI_ID: UBI-006865
Synonyms 4-(4-{4-[2-(4-carboxyanilino)-2-oxoethoxy]-3-methoxybenzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Temperature 313 °C