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(2E)-2-[(5E)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(3,4-dimethylphenyl)ethanamide
SpectraBase Compound ID FoxxIZNm2lE
InChI InChI=1S/C27H21N3O2S/c1-18-13-14-21(15-19(18)2)29-25(31)23(17-28)27-30(22-11-7-4-8-12-22)26(32)24(33-27)16-20-9-5-3-6-10-20/h3-16H,1-2H3,(H,29,31)/b24-16+,27-23+
InChIKey NZJFRGBIDRWXGK-SVOCCOSCSA-N
Mol Weight 451.54 g/mol
Molecular Formula C27H21N3O2S
Exact Mass 451.135448 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2OKDsCtNfRa
Name (2E)-2-[(5E)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(3,4-dimethylphenyl)ethanamide
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/C27H21N3O2S/c1-18-13-14-21(15-19(18)2)29-25(31)23(17-28)27-30(22-11-7-4-8-12-22)26(32)24(33-27)16-20-9-5-3-6-10-20/h3-16H,1-2H3,(H,29,31)/b24-16+,27-23+
InChIKey NZJFRGBIDRWXGK-SVOCCOSCSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26712
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: D66552; Labnumber: EXP17Mat000965; SBI_ID: SBI-026716
Synonyms 2-[5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(3,4-dimethylphenyl)ethanamide
Temperature 318 °C