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2-[(E)-2-[5-[3-(TRIFLUOROMETHYL)-PHENYL]-FURAN-2-YL]-VINYL]-3-METHYL-1,3-BENZOTHIAZOLIUM-IODIDE
SpectraBase Compound ID ChUcWrb7zve
InChI InChI=1S/C21H15F3NOS.HI/c1-25-17-7-2-3-8-19(17)27-20(25)12-10-16-9-11-18(26-16)14-5-4-6-15(13-14)21(22,23)24;/h2-13H,1H3;1H/q+1;/p-1/b12-10+;
InChIKey NZLYZXAMHIOZSK-VHPXAQPISA-M
Mol Weight 513.32 g/mol
Molecular Formula C21H15F3INOS
Exact Mass 512.987115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID yQqx3RSkEo
Name 2-[(E)-2-[5-[3-(TRIFLUOROMETHYL)-PHENYL]-FURAN-2-YL]-VINYL]-3-METHYL-1,3-BENZOTHIAZOLIUM-IODIDE
Compound Number 5F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H15F3INOS
InChI InChI=1S/C21H15F3NOS.HI/c1-25-17-7-2-3-8-19(17)27-20(25)12-10-16-9-11-18(26-16)14-5-4-6-15(13-14)21(22,23)24;/h2-13H,1H3;1H/q+1;/p-1/b12-10+;
InChIKey NZLYZXAMHIOZSK-VHPXAQPISA-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 513.316 g/mol
Solvent DMSO-D6
Source File Reference UWMS5891