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4-ethyl 2-methyl 5-({(Z)-2-cyano-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-3-methyl-2,4-thiophenedicarboxylate

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4-ethyl 2-methyl 5-({(Z)-2-cyano-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-3-methyl-2,4-thiophenedicarboxylate
SpectraBase Compound ID 9RO0jzhXEKy
InChI InChI=1S/C22H17Cl2N3O4S2/c1-4-31-21(28)17-11(2)18(22(29)30-3)33-20(17)26-9-12(8-25)19-27-16(10-32-19)14-6-5-13(23)7-15(14)24/h5-7,9-10,26H,4H2,1-3H3/b12-9-
InChIKey OTTPVZLEBVSKIQ-XFXZXTDPSA-N
Mol Weight 522.42 g/mol
Molecular Formula C22H17Cl2N3O4S2
Exact Mass 521.003754 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LcLn6HFjaxO
Name 4-ethyl 2-methyl 5-({(Z)-2-cyano-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-3-methyl-2,4-thiophenedicarboxylate
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/C22H17Cl2N3O4S2/c1-4-31-21(28)17-11(2)18(22(29)30-3)33-20(17)26-9-12(8-25)19-27-16(10-32-19)14-6-5-13(23)7-15(14)24/h5-7,9-10,26H,4H2,1-3H3/b12-9-
InChIKey OTTPVZLEBVSKIQ-XFXZXTDPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23802
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: D43468; Labnumber: ULGA9-0037; SBI_ID: SBI-023806
Synonyms 4-ethyl 2-methyl 5-({2-cyano-2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-3-methyl-2,4-thiophenedicarboxylate
Temperature 318 °C