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methyl 4-((E)-{(2E)-2-[2-(4-chloroanilino)-1-cyano-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene}methyl)benzoate

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methyl 4-((E)-{(2E)-2-[2-(4-chloroanilino)-1-cyano-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene}methyl)benzoate
SpectraBase Compound ID 4Qs9rb8S9Cx
InChI InChI=1S/C27H18ClN3O4S/c1-35-27(34)18-9-7-17(8-10-18)15-23-25(33)31(21-5-3-2-4-6-21)26(36-23)22(16-29)24(32)30-20-13-11-19(28)12-14-20/h2-15H,1H3,(H,30,32)/b23-15+,26-22+
InChIKey WTXYUSULETUFIG-XYRMDKOISA-N
Mol Weight 515.97 g/mol
Molecular Formula C27H18ClN3O4S
Exact Mass 515.070655 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1gJO5ClwkyB
Name methyl 4-((E)-{(2E)-2-[2-(4-chloroanilino)-1-cyano-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene}methyl)benzoate
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/C27H18ClN3O4S/c1-35-27(34)18-9-7-17(8-10-18)15-23-25(33)31(21-5-3-2-4-6-21)26(36-23)22(16-29)24(32)30-20-13-11-19(28)12-14-20/h2-15H,1H3,(H,30,32)/b23-15+,26-22+
InChIKey WTXYUSULETUFIG-XYRMDKOISA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26840
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: D66624; Labnumber: EXP17Mat001164; SBI_ID: SBI-026844
Synonyms methyl 4-({2-[2-(4-chloroanilino)-1-cyano-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene}methyl)benzoate
Temperature 308 °C