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5-N-METHYLBENZO-DELTA-CARBOLINIUM-TRIFLATE
SpectraBase Compound ID Dt7R5vCLqeu
InChI InChI=1S/C16H12N2.CHF3O3S/c1-18-15-9-5-2-6-11(15)10-14-16(18)12-7-3-4-8-13(12)17-14;2-1(3,4)8(5,6)7/h2-10H,1H3;(H,5,6,7)
InChIKey HYOKZJAQCIHROV-UHFFFAOYSA-N
Mol Weight 382.36 g/mol
Molecular Formula C17H13F3N2O3S
Exact Mass 382.059898 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KYDzL00ZYg
Name 5-N-METHYLBENZO-DELTA-CARBOLINIUM-TRIFLATE
Compound Number 35A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H13F3N2O3S
InChI InChI=1S/C16H12N2.CHF3O3S/c1-18-15-9-5-2-6-11(15)10-14-16(18)12-7-3-4-8-13(12)17-14;2-1(3,4)8(5,6)7/h2-10H,1H3;(H,5,6,7)
InChIKey HYOKZJAQCIHROV-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 UWSI44367