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[2,6-dichloro-4-((E)-{2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetic acid
SpectraBase Compound ID 4WwVJfPaxKU
InChI InChI=1S/C21H16Cl2N2O6S/c1-11-2-4-13(5-3-11)24-17(26)9-25-20(29)16(32-21(25)30)8-12-6-14(22)19(15(23)7-12)31-10-18(27)28/h2-8H,9-10H2,1H3,(H,24,26)(H,27,28)/b16-8+
InChIKey JXYIXQGHGKYZLG-LZYBPNLTSA-N
Mol Weight 495.33 g/mol
Molecular Formula C21H16Cl2N2O6S
Exact Mass 494.010613 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8Welh3alXDj
Name [2,6-dichloro-4-((E)-{2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetic 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/C21H16Cl2N2O6S/c1-11-2-4-13(5-3-11)24-17(26)9-25-20(29)16(32-21(25)30)8-12-6-14(22)19(15(23)7-12)31-10-18(27)28/h2-8H,9-10H2,1H3,(H,24,26)(H,27,28)/b16-8+
InChIKey JXYIXQGHGKYZLG-LZYBPNLTSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11798
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: 1003804; UBI_ID: UBI-011801
Synonyms [2,6-dichloro-4-({2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetic acid
Temperature 318 °C