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ethyl [2-bromo-4-((E)-{2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetate
SpectraBase Compound ID I7pWSSlociX
InChI InChI=1S/C23H21BrN2O6S/c1-3-31-21(28)13-32-18-9-6-15(10-17(18)24)11-19-22(29)26(23(30)33-19)12-20(27)25-16-7-4-14(2)5-8-16/h4-11H,3,12-13H2,1-2H3,(H,25,27)/b19-11+
InChIKey XXKPABUNKBXNSN-YBFXNURJSA-N
Mol Weight 533.39 g/mol
Molecular Formula C23H21BrN2O6S
Exact Mass 532.030371 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LSfTeduXMb3
Name ethyl [2-bromo-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/C23H21BrN2O6S/c1-3-31-21(28)13-32-18-9-6-15(10-17(18)24)11-19-22(29)26(23(30)33-19)12-20(27)25-16-7-4-14(2)5-8-16/h4-11H,3,12-13H2,1-2H3,(H,25,27)/b19-11+
InChIKey XXKPABUNKBXNSN-YBFXNURJSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11578
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: 1003169; UBI_ID: UBI-011581
Synonyms ethyl [2-bromo-4-({2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetate
Temperature 308 °C