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3-{2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-3-[(2E)-3-phenyl-2-propenoyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid
SpectraBase Compound ID 6Jx1ndceNOi
InChI InChI=1S/C28H23NO7/c1-35-22-14-12-18(16-23(22)36-2)25-24(21(30)13-11-17-7-4-3-5-8-17)26(31)27(32)29(25)20-10-6-9-19(15-20)28(33)34/h3-16,25,31H,1-2H3,(H,33,34)/b13-11+
InChIKey DBQPLZZVZIOYBC-ACCUITESSA-N
Mol Weight 485.49 g/mol
Molecular Formula C28H23NO7
Exact Mass 485.147452 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HHxbiVlibU1
Name 3-{2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-3-[(2E)-3-phenyl-2-propenoyl]-2,5-dihydro-1H-pyrrol-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/C28H23NO7/c1-35-22-14-12-18(16-23(22)36-2)25-24(21(30)13-11-17-7-4-3-5-8-17)26(31)27(32)29(25)20-10-6-9-19(15-20)28(33)34/h3-16,25,31H,1-2H3,(H,33,34)/b13-11+
InChIKey DBQPLZZVZIOYBC-ACCUITESSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21229
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: D52275; Labnumber: RPGE-2760; SBI_ID: SBI-021233
Synonyms 3-{2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-3-[3-phenyl-2-propenoyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid
Temperature 318 °C