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[4-((E)-{2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenoxy]acetic acid
SpectraBase Compound ID KToH7C2rZmT
InChI InChI=1S/C22H20N2O7S/c1-13-3-6-15(7-4-13)23-19(25)11-24-21(28)18(32-22(24)29)10-14-5-8-16(17(9-14)30-2)31-12-20(26)27/h3-10H,11-12H2,1-2H3,(H,23,25)(H,26,27)/b18-10+
InChIKey OEIQUAYMBXIWDD-VCHYOVAHSA-N
Mol Weight 456.47 g/mol
Molecular Formula C22H20N2O7S
Exact Mass 456.099122 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fojgnz2y4hL
Name [4-((E)-{2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenoxy]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/C22H20N2O7S/c1-13-3-6-15(7-4-13)23-19(25)11-24-21(28)18(32-22(24)29)10-14-5-8-16(17(9-14)30-2)31-12-20(26)27/h3-10H,11-12H2,1-2H3,(H,23,25)(H,26,27)/b18-10+
InChIKey OEIQUAYMBXIWDD-VCHYOVAHSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11549
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: 1003281; UBI_ID: UBI-011552
Synonyms [4-({2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenoxy]acetic acid
Temperature 318 °C