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11-ISOPROPYL-5-N-METHYLBENZO-DELTA-CARBOLINIUM-TRIFLATE
SpectraBase Compound ID 4NsuGw8B9Di
InChI InChI=1S/C19H18N2.CHF3O3S/c1-12(2)17-14-9-5-7-11-16(14)21(3)19-13-8-4-6-10-15(13)20-18(17)19;2-1(3,4)8(5,6)7/h4-12H,1-3H3;(H,5,6,7)
InChIKey VTYPVFRWGRYYDK-UHFFFAOYSA-N
Mol Weight 424.44 g/mol
Molecular Formula C20H19F3N2O3S
Exact Mass 424.106848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BPrHDxhGnGc
Name 11-ISOPROPYL-5-N-METHYLBENZO-DELTA-CARBOLINIUM-TRIFLATE
Compound Number 35D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H19F3N2O3S
InChI InChI=1S/C19H18N2.CHF3O3S/c1-12(2)17-14-9-5-7-11-16(14)21(3)19-13-8-4-6-10-15(13)20-18(17)19;2-1(3,4)8(5,6)7/h4-12H,1-3H3;(H,5,6,7)
InChIKey VTYPVFRWGRYYDK-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
Molecular Weight 424.438 g/mol
Sample ID 44370
Solvent DMSO-D6