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2-[(E)-2-[5-[3-(TRIFLUOROMETHYL)-PHENYL]-FURAN-2-YL]-VINYL]-3-ETHYL-1,3-BENZOTHIAZOLIUM-IODIDE
SpectraBase Compound ID 3V7YPbHFd9w
InChI InChI=1S/C22H17F3NOS.HI/c1-2-26-18-8-3-4-9-20(18)28-21(26)13-11-17-10-12-19(27-17)15-6-5-7-16(14-15)22(23,24)25;/h3-14H,2H2,1H3;1H/q+1;/p-1/b13-11+;
InChIKey GYLIPHQXULLPQX-BNSHTTSQSA-M
Mol Weight 527.34 g/mol
Molecular Formula C22H17F3INOS
Exact Mass 527.002765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4825nybjDzh
Name 2-[(E)-2-[5-[3-(TRIFLUOROMETHYL)-PHENYL]-FURAN-2-YL]-VINYL]-3-ETHYL-1,3-BENZOTHIAZOLIUM-IODIDE
Compound Number 6 F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H17F3INOS
InChI InChI=1S/C22H17F3NOS.HI/c1-2-26-18-8-3-4-9-20(18)28-21(26)13-11-17-10-12-19(27-17)15-6-5-7-16(14-15)22(23,24)25;/h3-14H,2H2,1H3;1H/q+1;/p-1/b13-11+;
InChIKey GYLIPHQXULLPQX-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 527.343 g/mol
Solvent DMSO-D6
Source File Reference UWMS5899