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5-N-METHYL-11-PHENYLBENZO-DELTA-CARBOLINIUM-TRIFLATE
SpectraBase Compound ID 7kuUFk6VGnT
InChI InChI=1S/C22H16N2.CHF3O3S/c1-24-19-14-8-6-12-17(19)20(15-9-3-2-4-10-15)21-22(24)16-11-5-7-13-18(16)23-21;2-1(3,4)8(5,6)7/h2-14H,1H3;(H,5,6,7)
InChIKey WWTHIQBLGXQKPK-UHFFFAOYSA-N
Mol Weight 458.46 g/mol
Molecular Formula C23H17F3N2O3S
Exact Mass 458.091198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BfUfVgh79Vy
Name 5-N-METHYL-11-PHENYLBENZO-DELTA-CARBOLINIUM-TRIFLATE
Compound Number 35E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H17F3N2O3S
InChI InChI=1S/C22H16N2.CHF3O3S/c1-24-19-14-8-6-12-17(19)20(15-9-3-2-4-10-15)21-22(24)16-11-5-7-13-18(16)23-21;2-1(3,4)8(5,6)7/h2-14H,1H3;(H,5,6,7)
InChIKey WWTHIQBLGXQKPK-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 458.455 g/mol
Sample ID 44371
Solvent DMSO-D6