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11-ETHYL-5-N-METHYLBENZO-DELTA-CARBOLINIUM-TRIFLATE
SpectraBase Compound ID A44T3xoPJ65
InChI InChI=1S/C18H16N2.CHF3O3S/c1-3-12-13-8-5-7-11-16(13)20(2)18-14-9-4-6-10-15(14)19-17(12)18;2-1(3,4)8(5,6)7/h4-11H,3H2,1-2H3;(H,5,6,7)
InChIKey SFADOZCXZOPALE-UHFFFAOYSA-N
Mol Weight 410.41 g/mol
Molecular Formula C19H17F3N2O3S
Exact Mass 410.091198 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IbvfZhpq9ZN
Name 11-ETHYL-5-N-METHYLBENZO-DELTA-CARBOLINIUM-TRIFLATE
Compound Number 35C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H17F3N2O3S
InChI InChI=1S/C18H16N2.CHF3O3S/c1-3-12-13-8-5-7-11-16(13)20(2)18-14-9-4-6-10-15(14)19-17(12)18;2-1(3,4)8(5,6)7/h4-11H,3H2,1-2H3;(H,5,6,7)
InChIKey SFADOZCXZOPALE-UHFFFAOYSA-N
Literature Reference Author E.ARZEL,P.ROCCA,P.GRELLIER,M.LABAEID,F.FRAPPIER,F.GUERITTE,C .GASPARD,F.MARSAIS,A
Literature Reference Citation J.MED.CHEM.,44,949(2001)
Literature Reference DOI 10.1021/jm0010419
Solvent DMSO-D6
Source File Reference UWSI44369