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3-((4Z)-4-{3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid

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3-((4Z)-4-{3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
SpectraBase Compound ID 2DLkbqDe1xH
InChI InChI=1S/C29H27N3O7/c1-4-38-26-15-19(12-13-25(26)39-17-27(33)30-23-10-5-6-11-24(23)37-3)14-22-18(2)31-32(28(22)34)21-9-7-8-20(16-21)29(35)36/h5-16H,4,17H2,1-3H3,(H,30,33)(H,35,36)/b22-14-
InChIKey DMVOSNIPAOFXGM-HMAPJEAMSA-N
Mol Weight 529.55 g/mol
Molecular Formula C29H27N3O7
Exact Mass 529.1849 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J1iqaYOJizJ
Name 3-((4Z)-4-{3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzylidene}-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/C29H27N3O7/c1-4-38-26-15-19(12-13-25(26)39-17-27(33)30-23-10-5-6-11-24(23)37-3)14-22-18(2)31-32(28(22)34)21-9-7-8-20(16-21)29(35)36/h5-16H,4,17H2,1-3H3,(H,30,33)(H,35,36)/b22-14-
InChIKey DMVOSNIPAOFXGM-HMAPJEAMSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13940
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/9053733; UBI_ID: UBI-013943
Synonyms 3-(4-{3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Temperature 318 °C