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3-BENZYL-2-[(E)-2-[5-(4-CHLOROPHENYL)-FURAN-2-YL]-VINYL]-1,3-BENZOTHIAZOLIUM-BROMIDE
SpectraBase Compound ID 9XLnxemPE5
InChI InChI=1S/C26H19ClNOS.BrH/c27-21-12-10-20(11-13-21)24-16-14-22(29-24)15-17-26-28(18-19-6-2-1-3-7-19)23-8-4-5-9-25(23)30-26;/h1-17H,18H2;1H/q+1;/p-1/b17-15+;
InChIKey WOZBYEIGANUFGF-INTLEYBYSA-M
Mol Weight 508.86 g/mol
Molecular Formula C26H19BrClNOS
Exact Mass 507.005926 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HgciAFT8RN5
Name 3-BENZYL-2-[(E)-2-[5-(4-CHLOROPHENYL)-FURAN-2-YL]-VINYL]-1,3-BENZOTHIAZOLIUM-BROMIDE
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H19BrClNOS
InChI InChI=1S/C26H19ClNOS.BrH/c27-21-12-10-20(11-13-21)24-16-14-22(29-24)15-17-26-28(18-19-6-2-1-3-7-19)23-8-4-5-9-25(23)30-26;/h1-17H,18H2;1H/q+1;/p-1/b17-15+;
InChIKey WOZBYEIGANUFGF-INTLEYBYSA-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 508.860 g/mol
Solvent DMSO-D6
Source File Reference UWMS5902