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ethyl (2E)-[(2E)-2-{1-cyano-2-oxo-2-[(2-phenylethyl)amino]ethylidene}-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-5-ylidene]ethanoate
SpectraBase Compound ID JWwVtRqcJre
InChI InChI=1S/C25H23N3O4S/c1-3-32-22(29)15-21-24(31)28(19-11-9-17(2)10-12-19)25(33-21)20(16-26)23(30)27-14-13-18-7-5-4-6-8-18/h4-12,15H,3,13-14H2,1-2H3,(H,27,30)/b21-15+,25-20+
InChIKey DNXQGQUFTAMZHH-LQPBJRFZSA-N
Mol Weight 461.54 g/mol
Molecular Formula C25H23N3O4S
Exact Mass 461.140927 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BM6VKEAKiCx
Name ethyl (2E)-[(2E)-2-{1-cyano-2-oxo-2-[(2-phenylethyl)amino]ethylidene}-3-(4-methylphenyl)-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/C25H23N3O4S/c1-3-32-22(29)15-21-24(31)28(19-11-9-17(2)10-12-19)25(33-21)20(16-26)23(30)27-14-13-18-7-5-4-6-8-18/h4-12,15H,3,13-14H2,1-2H3,(H,27,30)/b21-15+,25-20+
InChIKey DNXQGQUFTAMZHH-LQPBJRFZSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11915
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: D66120; Labnumber: EXP17Mat001841; SBI_ID: SBI-011918
Synonyms ethyl [2-{1-cyano-2-oxo-2-[(2-phenylethyl)amino]ethylidene}-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-5-ylidene]ethanoate
Temperature 308 °C