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3-BENZYL-2-[(E)-2-[5-(3-NITROPHENYL)-FURAN-2-YL]-VINYL]-1,3-BENZOTHIAZOLIUM-BROMIDE
SpectraBase Compound ID CB7zYIX6fQ0
InChI InChI=1S/C26H19N2O3S.BrH/c29-28(30)21-10-6-9-20(17-21)24-15-13-22(31-24)14-16-26-27(18-19-7-2-1-3-8-19)23-11-4-5-12-25(23)32-26;/h1-17H,18H2;1H/q+1;/p-1/b16-14+;
InChIKey SYTRJLJDEBXHDA-BACBYAOASA-M
Mol Weight 519.41 g/mol
Molecular Formula C26H19BrN2O3S
Exact Mass 518.029977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ic9264mzM9J
Name 3-BENZYL-2-[(E)-2-[5-(3-NITROPHENYL)-FURAN-2-YL]-VINYL]-1,3-BENZOTHIAZOLIUM-BROMIDE
Compound Number 7D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H19BrN2O3S
InChI InChI=1S/C26H19N2O3S.BrH/c29-28(30)21-10-6-9-20(17-21)24-15-13-22(31-24)14-16-26-27(18-19-7-2-1-3-8-19)23-11-4-5-12-25(23)32-26;/h1-17H,18H2;1H/q+1;/p-1/b16-14+;
InChIKey SYTRJLJDEBXHDA-BACBYAOASA-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 519.412 g/mol
Solvent DMSO-D6
Source File Reference UWMS5905