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(2E)-2-[(5E)-5-(5-chloro-2-ethoxybenzylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-ethoxyphenyl)ethanamide
SpectraBase Compound ID 9v3IYPSxrrj
InChI InChI=1S/C29H24ClN3O4S/c1-3-36-23-13-11-21(12-14-23)32-27(34)24(18-31)29-33(22-8-6-5-7-9-22)28(35)26(38-29)17-19-16-20(30)10-15-25(19)37-4-2/h5-17H,3-4H2,1-2H3,(H,32,34)/b26-17+,29-24+
InChIKey FBQRZUSYDHPOPQ-WIVSVQHBSA-N
Mol Weight 546.04 g/mol
Molecular Formula C29H24ClN3O4S
Exact Mass 545.117605 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8palXkP32DW
Name (2E)-2-[(5E)-5-(5-chloro-2-ethoxybenzylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-ethoxyphenyl)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/C29H24ClN3O4S/c1-3-36-23-13-11-21(12-14-23)32-27(34)24(18-31)29-33(22-8-6-5-7-9-22)28(35)26(38-29)17-19-16-20(30)10-15-25(19)37-4-2/h5-17H,3-4H2,1-2H3,(H,32,34)/b26-17+,29-24+
InChIKey FBQRZUSYDHPOPQ-WIVSVQHBSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28641
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: D86500; Labnumber: EXP17Mat000830; SBI_ID: SBI-028645
Synonyms 2-[5-(5-chloro-2-ethoxybenzylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-ethoxyphenyl)ethanamide
Temperature 303 °C