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methyl [2-allyl-4-((E)-{2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)-6-methoxyphenoxy]acetate

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methyl [2-allyl-4-((E)-{2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)-6-methoxyphenoxy]acetate
SpectraBase Compound ID 39UGdbM6BHC
InChI InChI=1S/C26H26N2O7S/c1-5-6-18-11-17(12-20(33-3)24(18)35-15-23(30)34-4)13-21-25(31)28(26(32)36-21)14-22(29)27-19-9-7-16(2)8-10-19/h5,7-13H,1,6,14-15H2,2-4H3,(H,27,29)/b21-13+
InChIKey KKXRTSHPYKIKGK-FYJGNVAPSA-N
Mol Weight 510.56 g/mol
Molecular Formula C26H26N2O7S
Exact Mass 510.146072 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2NIPIsV5AE5
Name methyl [2-allyl-4-((E)-{2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)-6-methoxyphenoxy]acetate
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/C26H26N2O7S/c1-5-6-18-11-17(12-20(33-3)24(18)35-15-23(30)34-4)13-21-25(31)28(26(32)36-21)14-22(29)27-19-9-7-16(2)8-10-19/h5,7-13H,1,6,14-15H2,2-4H3,(H,27,29)/b21-13+
InChIKey KKXRTSHPYKIKGK-FYJGNVAPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11547
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: 1003887; UBI_ID: UBI-011550
Synonyms methyl [2-allyl-4-({2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)-6-methoxyphenoxy]acetate
Temperature 318 °C