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methyl (2E)-{(2E)-3-(4-bromophenyl)-2-[1-cyano-2-(methylamino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene}ethanoate

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methyl (2E)-{(2E)-3-(4-bromophenyl)-2-[1-cyano-2-(methylamino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene}ethanoate
SpectraBase Compound ID 6vTym27ktay
InChI InChI=1S/C16H12BrN3O4S/c1-19-14(22)11(8-18)16-20(10-5-3-9(17)4-6-10)15(23)12(25-16)7-13(21)24-2/h3-7H,1-2H3,(H,19,22)/b12-7+,16-11+
InChIKey FOJALGNTRSTTFE-OHAJNEHYSA-N
Mol Weight 422.25 g/mol
Molecular Formula C16H12BrN3O4S
Exact Mass 420.97319 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FYvQe6O4StX
Name methyl (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/C16H12BrN3O4S/c1-19-14(22)11(8-18)16-20(10-5-3-9(17)4-6-10)15(23)12(25-16)7-13(21)24-2/h3-7H,1-2H3,(H,19,22)/b12-7+,16-11+
InChIKey FOJALGNTRSTTFE-OHAJNEHYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11914
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: D66119; Labnumber: EXP17Mat001840; SBI_ID: SBI-011917
Synonyms methyl {3-(4-bromophenyl)-2-[1-cyano-2-(methylamino)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene}ethanoate
Temperature 308 °C