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2-[(E)-2-[5-(2,4-DICHLOROPHENYL)-FURAN-2-YL]-VINYL]-3-ETHYL-1,3-BENZOTHIAZOLIUM-IODIDE
SpectraBase Compound ID 3hJMdlFf3ET
InChI InChI=1S/C21H16Cl2NOS.HI/c1-2-24-18-5-3-4-6-20(18)26-21(24)12-9-15-8-11-19(25-15)16-10-7-14(22)13-17(16)23;/h3-13H,2H2,1H3;1H/q+1;/p-1/b12-9+;
InChIKey IJQBIRJXIQAIOI-NBYYMMLRSA-M
Mol Weight 528.24 g/mol
Molecular Formula C21H16Cl2INOS
Exact Mass 526.937436 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DOn0uCmvjlP
Name 2-[(E)-2-[5-(2,4-DICHLOROPHENYL)-FURAN-2-YL]-VINYL]-3-ETHYL-1,3-BENZOTHIAZOLIUM-IODIDE
Compound Number 6H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H16Cl2INOS
InChI InChI=1S/C21H16Cl2NOS.HI/c1-2-24-18-5-3-4-6-20(18)26-21(24)12-9-15-8-11-19(25-15)16-10-7-14(22)13-17(16)23;/h3-13H,2H2,1H3;1H/q+1;/p-1/b12-9+;
InChIKey IJQBIRJXIQAIOI-NBYYMMLRSA-M
Literature Reference Author Z.PUTEROVA,A.KRUTOSIKOVA,A.LYCKA,T.DURCEKOVA
Literature Reference Citation MOLECULES,9,241(2004)
Literature Reference DOI 10.3390/90400241
Molecular Weight 528.235 g/mol
Solvent DMSO-D6
Source File Reference UWMS5901