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2-[(E)-2-[5-(2-BROMOPHENYL)-FURAN-2-YL]-VINYL]-3-METHYL-1,3-BENZOTHIAZOLIUM-IODIDE
SpectraBase Compound ID 9ZZGsKnJAM2
InChI InChI=1S/C20H15BrNOS.HI/c1-22-17-8-4-5-9-19(17)24-20(22)13-11-14-10-12-18(23-14)15-6-2-3-7-16(15)21;/h2-13H,1H3;1H/q+1;/p-1/b13-11+;
InChIKey RITGDPQHERTIGQ-BNSHTTSQSA-M
Mol Weight 524.21 g/mol
Molecular Formula C20H15BrINOS
Exact Mass 522.910243 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KvGa8egEshF
Name 2-[(E)-2-[5-(2-BROMOPHENYL)-FURAN-2-YL]-VINYL]-3-METHYL-1,3-BENZOTHIAZOLIUM-IODIDE
Compound Number 5G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H15BrINOS
InChI InChI=1S/C20H15BrNOS.HI/c1-22-17-8-4-5-9-19(17)24-20(22)13-11-14-10-12-18(23-14)15-6-2-3-7-16(15)21;/h2-13H,1H3;1H/q+1;/p-1/b13-11+;
InChIKey RITGDPQHERTIGQ-BNSHTTSQSA-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 524.214 g/mol
Solvent DMSO-D6
Source File Reference UWMS5892