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

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methyl [2-bromo-6-chloro-4-((E)-{2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetate
SpectraBase Compound ID hA4gd0SEy3
InChI InChI=1S/C22H18BrClN2O6S/c1-12-3-5-14(6-4-12)25-18(27)10-26-21(29)17(33-22(26)30)9-13-7-15(23)20(16(24)8-13)32-11-19(28)31-2/h3-9H,10-11H2,1-2H3,(H,25,27)/b17-9+
InChIKey KTJPECXIBIMLCV-RQZCQDPDSA-N
Mol Weight 553.81 g/mol
Molecular Formula C22H18BrClN2O6S
Exact Mass 551.975748 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 18E5nwBCPb
Name methyl [2-bromo-6-chloro-4-((E)-{2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)phenoxy]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/C22H18BrClN2O6S/c1-12-3-5-14(6-4-12)25-18(27)10-26-21(29)17(33-22(26)30)9-13-7-15(23)20(16(24)8-13)32-11-19(28)31-2/h3-9H,10-11H2,1-2H3,(H,25,27)/b17-9+
InChIKey KTJPECXIBIMLCV-RQZCQDPDSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11797
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: 1003857; UBI_ID: UBI-011800
Synonyms methyl [2-bromo-6-chloro-4-({2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetate
Temperature 318 °C