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ethyl (2E)-{(2E)-3-(4-bromophenyl)-2-[1-cyano-2-(methylamino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene}ethanoate
SpectraBase Compound ID A6lsSNHIIGg
InChI InChI=1S/C17H14BrN3O4S/c1-3-25-14(22)8-13-16(24)21(11-6-4-10(18)5-7-11)17(26-13)12(9-19)15(23)20-2/h4-8H,3H2,1-2H3,(H,20,23)/b13-8+,17-12+
InChIKey XJIRHEYDTGXFEH-KYNROGAISA-N
Mol Weight 436.28 g/mol
Molecular Formula C17H14BrN3O4S
Exact Mass 434.98884 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7JiToea1WCP
Name ethyl (2E)-{(2E)-3-(4-bromophenyl)-2-[1-cyano-2-(methylamino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene}ethanoate
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/C17H14BrN3O4S/c1-3-25-14(22)8-13-16(24)21(11-6-4-10(18)5-7-11)17(26-13)12(9-19)15(23)20-2/h4-8H,3H2,1-2H3,(H,20,23)/b13-8+,17-12+
InChIKey XJIRHEYDTGXFEH-KYNROGAISA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11921
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: D66127; Labnumber: EXP17Mat001848; SBI_ID: SBI-011924
Synonyms ethyl {3-(4-bromophenyl)-2-[1-cyano-2-(methylamino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene}ethanoate
Temperature 308 °C