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3-{[4-((E)-{2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenoxy]methyl}benzoic acid

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3-{[4-((E)-{2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenoxy]methyl}benzoic acid
SpectraBase Compound ID B2FDPnF3kX8
InChI InChI=1S/C28H24N2O7S/c1-17-6-9-21(10-7-17)29-25(31)15-30-26(32)24(38-28(30)35)14-18-8-11-22(23(13-18)36-2)37-16-19-4-3-5-20(12-19)27(33)34/h3-14H,15-16H2,1-2H3,(H,29,31)(H,33,34)/b24-14+
InChIKey QRYIGXPAVBITAB-ZVHZXABRSA-N
Mol Weight 532.57 g/mol
Molecular Formula C28H24N2O7S
Exact Mass 532.130422 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KIO9gTwcexz
Name 3-{[4-((E)-{2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenoxy]methyl}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/C28H24N2O7S/c1-17-6-9-21(10-7-17)29-25(31)15-30-26(32)24(38-28(30)35)14-18-8-11-22(23(13-18)36-2)37-16-19-4-3-5-20(12-19)27(33)34/h3-14H,15-16H2,1-2H3,(H,29,31)(H,33,34)/b24-14+
InChIKey QRYIGXPAVBITAB-ZVHZXABRSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11819
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: 1003839; UBI_ID: UBI-011822
Synonyms 3-{[4-({2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenoxy]methyl}benzoic acid
Temperature 318 °C