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5-N,11-DIMETHYLBENZO-DELTA-CARBOLINIUM-TRIFLATE
SpectraBase Compound ID Ei3r6dAaNn6
InChI InChI=1S/C17H14N2.CHF3O3S/c1-11-12-7-4-6-10-15(12)19(2)17-13-8-3-5-9-14(13)18-16(11)17;2-1(3,4)8(5,6)7/h3-10H,1-2H3;(H,5,6,7)
InChIKey XOPVNSIWOSCFSH-UHFFFAOYSA-N
Mol Weight 396.38 g/mol
Molecular Formula C18H15F3N2O3S
Exact Mass 396.075548 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ViBSTk2HBm
Name 5-N,11-DIMETHYLBENZO-DELTA-CARBOLINIUM-TRIFLATE
Compound Number 35B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H15F3N2O3S
InChI InChI=1S/C17H14N2.CHF3O3S/c1-11-12-7-4-6-10-15(12)19(2)17-13-8-3-5-9-14(13)18-16(11)17;2-1(3,4)8(5,6)7/h3-10H,1-2H3;(H,5,6,7)
InChIKey XOPVNSIWOSCFSH-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 396.384 g/mol
Sample ID 44368
Solvent DMSO-D6