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4-chloro-3-[5-((E)-{2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)-2-furyl]benzoic acid
SpectraBase Compound ID 7XS9vidj2ng
InChI InChI=1S/C24H17ClN2O6S/c1-13-2-5-15(6-3-13)26-21(28)12-27-22(29)20(34-24(27)32)11-16-7-9-19(33-16)17-10-14(23(30)31)4-8-18(17)25/h2-11H,12H2,1H3,(H,26,28)(H,30,31)/b20-11+
InChIKey DIKLBWZYGAQLJD-RGVLZGJSSA-N
Mol Weight 496.92 g/mol
Molecular Formula C24H17ClN2O6S
Exact Mass 496.049585 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EpNYwyR6anT
Name 4-chloro-3-[5-((E)-{2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)-2-furyl]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/C24H17ClN2O6S/c1-13-2-5-15(6-3-13)26-21(28)12-27-22(29)20(34-24(27)32)11-16-7-9-19(33-16)17-10-14(23(30)31)4-8-18(17)25/h2-11H,12H2,1H3,(H,26,28)(H,30,31)/b20-11+
InChIKey DIKLBWZYGAQLJD-RGVLZGJSSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11455
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: 1002930; UBI_ID: UBI-011458
Synonyms 4-chloro-3-[5-({2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)-2-furyl]benzoic acid
Temperature 308 °C