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3-BENZYL-2-[(E)-2-[5-(2,4-DICHLOROPHENYL)-FURAN-2-YL]-VINYL]-1,3-BENZOTHIAZOLIUM-BROMIDE
SpectraBase Compound ID IOKw7zR9o88
InChI InChI=1S/C26H18Cl2NOS.BrH/c27-19-10-13-21(22(28)16-19)24-14-11-20(30-24)12-15-26-29(17-18-6-2-1-3-7-18)23-8-4-5-9-25(23)31-26;/h1-16H,17H2;1H/q+1;/p-1/b15-12+;
InChIKey KZTSBNCWEPZGCA-JRUHLWALSA-M
Mol Weight 543.31 g/mol
Molecular Formula C26H18BrCl2NOS
Exact Mass 540.966954 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DDwOZ9VRAdE
Name 3-BENZYL-2-[(E)-2-[5-(2,4-DICHLOROPHENYL)-FURAN-2-YL]-VINYL]-1,3-BENZOTHIAZOLIUM-BROMIDE
Compound Number 7H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H18BrCl2NOS
InChI InChI=1S/C26H18Cl2NOS.BrH/c27-19-10-13-21(22(28)16-19)24-14-11-20(30-24)12-15-26-29(17-18-6-2-1-3-7-18)23-8-4-5-9-25(23)31-26;/h1-16H,17H2;1H/q+1;/p-1/b15-12+;
InChIKey KZTSBNCWEPZGCA-JRUHLWALSA-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 543.305 g/mol
Solvent DMSO-D6
Source File Reference UWMS5909