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ethyl 5-(anilinocarbonyl)-2-({(Z)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-4-methyl-3-thiophenecarboxylate
SpectraBase Compound ID HK2jQCHWBo2
InChI InChI=1S/C27H21FN4O3S2/c1-3-35-27(34)22-16(2)23(24(33)31-20-7-5-4-6-8-20)37-26(22)30-14-18(13-29)25-32-21(15-36-25)17-9-11-19(28)12-10-17/h4-12,14-15,30H,3H2,1-2H3,(H,31,33)/b18-14-
InChIKey GXXMFOJXWFMVQA-JXAWBTAJSA-N
Mol Weight 532.61 g/mol
Molecular Formula C27H21FN4O3S2
Exact Mass 532.103911 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IYovtRHVZf8
Name ethyl 5-(anilinocarbonyl)-2-({(Z)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-4-methyl-3-thiophenecarboxylate
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/C27H21FN4O3S2/c1-3-35-27(34)22-16(2)23(24(33)31-20-7-5-4-6-8-20)37-26(22)30-14-18(13-29)25-32-21(15-36-25)17-9-11-19(28)12-10-17/h4-12,14-15,30H,3H2,1-2H3,(H,31,33)/b18-14-
InChIKey GXXMFOJXWFMVQA-JXAWBTAJSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21965
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: D58098; Labnumber: ULGA9-0193; SBI_ID: SBI-021969
Synonyms ethyl 5-(anilinocarbonyl)-2-({2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-4-methyl-3-thiophenecarboxylate
Temperature 308 °C