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2-(BUT-3-YNYL)-10-PHENYL-1-(PHENYLETHYNYL)-5,6-DIHYDRO-IMIDAZO-[5,1-A]-ISOQUINOLIN-2-IUM-TRIFLUOROMETHANESULFONATE
SpectraBase Compound ID EwxdMSjI5yB
InChI InChI=1S/C29H23N2.CHF3O3S/c1-2-3-20-30-22-31-21-19-25-15-10-16-26(24-13-8-5-9-14-24)28(25)29(31)27(30)18-17-23-11-6-4-7-12-23;2-1(3,4)8(5,6)7/h1,4-16,22H,3,19-21H2;(H,5,6,7)/q+1;/p-1
InChIKey MOORYKJVVYRFQN-UHFFFAOYSA-M
Mol Weight 548.58 g/mol
Molecular Formula C30H23F3N2O3S
Exact Mass 548.138148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B0GQwnFDMNo
Name 2-(BUT-3-YNYL)-10-PHENYL-1-(PHENYLETHYNYL)-5,6-DIHYDRO-IMIDAZO-[5,1-A]-ISOQUINOLIN-2-IUM-TRIFLUOROMETHANESULFONATE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H23F3N2O3S
InChI InChI=1S/C29H23N2.CHF3O3S/c1-2-3-20-30-22-31-21-19-25-15-10-16-26(24-13-8-5-9-14-24)28(25)29(31)27(30)18-17-23-11-6-4-7-12-23;2-1(3,4)8(5,6)7/h1,4-16,22H,3,19-21H2;(H,5,6,7)/q+1;/p-1
InChIKey MOORYKJVVYRFQN-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 548.579 g/mol
Solvent ACETONE-D6
Source File Reference UWIR19333