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methyl (2E)-[(2E)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-5-ylidene]ethanoate
SpectraBase Compound ID 78OctqbIPy3
InChI InChI=1S/C15H10BrN3O4S/c1-23-12(20)6-11-14(22)19(9-4-2-8(16)3-5-9)15(24-11)10(7-17)13(18)21/h2-6H,1H3,(H2,18,21)/b11-6+,15-10+
InChIKey BQKGRWFOQZTJSK-FDCMAIFOSA-N
Mol Weight 408.23 g/mol
Molecular Formula C15H10BrN3O4S
Exact Mass 406.95754 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jbl2rFDdqM
Name methyl (2E)-[(2E)-2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-bromophenyl)-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/C15H10BrN3O4S/c1-23-12(20)6-11-14(22)19(9-4-2-8(16)3-5-9)15(24-11)10(7-17)13(18)21/h2-6H,1H3,(H2,18,21)/b11-6+,15-10+
InChIKey BQKGRWFOQZTJSK-FDCMAIFOSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11919
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: D66125; Labnumber: EXP17Mat001846; SBI_ID: SBI-011922
Synonyms methyl [2-(2-amino-1-cyano-2-oxoethylidene)-3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-5-ylidene]ethanoate
Temperature 308 °C