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(2E)-2-cyano-N-(4-ethoxyphenyl)-2-[(5E)-5-(3-nitrobenzylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]ethanamide
SpectraBase Compound ID CZbCe3DemtH
InChI InChI=1S/C27H20N4O5S/c1-2-36-22-13-11-19(12-14-22)29-25(32)23(17-28)27-30(20-8-4-3-5-9-20)26(33)24(37-27)16-18-7-6-10-21(15-18)31(34)35/h3-16H,2H2,1H3,(H,29,32)/b24-16+,27-23+
InChIKey JVWQJILINXQGMB-SVOCCOSCSA-N
Mol Weight 512.54 g/mol
Molecular Formula C27H20N4O5S
Exact Mass 512.115441 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6PPU2TlDq9X
Name (2E)-2-cyano-N-(4-ethoxyphenyl)-2-[(5E)-5-(3-nitrobenzylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]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/C27H20N4O5S/c1-2-36-22-13-11-19(12-14-22)29-25(32)23(17-28)27-30(20-8-4-3-5-9-20)26(33)24(37-27)16-18-7-6-10-21(15-18)31(34)35/h3-16H,2H2,1H3,(H,29,32)/b24-16+,27-23+
InChIKey JVWQJILINXQGMB-SVOCCOSCSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28635
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: D86492; Labnumber: EXP17Mat000822; SBI_ID: SBI-028639
Synonyms 2-cyano-N-(4-ethoxyphenyl)-2-[5-(3-nitrobenzylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]ethanamide
Temperature 315 °C