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1,3-DI-(BUT-3-YNYL)-4,5-BIS-(PHENYLETHYNYL)-1H-IMIDAZOL-3-IUM-TRIFLUOROMETHANESULFONATE
SpectraBase Compound ID D6T0pknjWfj
InChI InChI=1S/C27H21N2.CHF3O3S/c1-3-5-21-28-23-29(22-6-4-2)27(20-18-25-15-11-8-12-16-25)26(28)19-17-24-13-9-7-10-14-24;2-1(3,4)8(5,6)7/h1-2,7-16,23H,5-6,21-22H2;(H,5,6,7)/q+1;/p-1
InChIKey FFMMRYZZEOWZHS-UHFFFAOYSA-M
Mol Weight 522.54 g/mol
Molecular Formula C28H21F3N2O3S
Exact Mass 522.122498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EmkZ7wl4wKW
Name 1,3-DI-(BUT-3-YNYL)-4,5-BIS-(PHENYLETHYNYL)-1H-IMIDAZOL-3-IUM-TRIFLUOROMETHANESULFONATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H21F3N2O3S
InChI InChI=1S/C27H21N2.CHF3O3S/c1-3-5-21-28-23-29(22-6-4-2)27(20-18-25-15-11-8-12-16-25)26(28)19-17-24-13-9-7-10-14-24;2-1(3,4)8(5,6)7/h1-2,7-16,23H,5-6,21-22H2;(H,5,6,7)/q+1;/p-1
InChIKey FFMMRYZZEOWZHS-UHFFFAOYSA-M
Literature Reference Author M.CIZKOVA,D.SAMAN,D.KOVAL,V.KASICKA,B.KLEPETAROVA,I.CISAROVA ,F.TEPLY
Literature Reference Citation EUR.J.ORG.CHEM.,2014,5681(2014)
Literature Reference DOI 10.1002/ejoc.201402746
Molecular Weight 522.542 g/mol
Solvent ACETONE-D6
Source File Reference UWIR19331