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1-N-METHYL-DELTA-CARBOLINIUM-TRIFLATE
SpectraBase Compound ID 3Fqd8SaOAx8
InChI InChI=1S/C12H10N2.CHF3O3S/c1-14-8-4-7-11-12(14)9-5-2-3-6-10(9)13-11;2-1(3,4)8(5,6)7/h2-8H,1H3;(H,5,6,7)
InChIKey SYDFTXKJRAPSGV-UHFFFAOYSA-N
Mol Weight 332.3 g/mol
Molecular Formula C13H11F3N2O3S
Exact Mass 332.044248 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ur2UCEneUl
Name 1-N-METHYL-DELTA-CARBOLINIUM-TRIFLATE
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11F3N2O3S
InChI InChI=1S/C12H10N2.CHF3O3S/c1-14-8-4-7-11-12(14)9-5-2-3-6-10(9)13-11;2-1(3,4)8(5,6)7/h2-8H,1H3;(H,5,6,7)
InChIKey SYDFTXKJRAPSGV-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 332.297 g/mol
Sample ID 44366
Solvent DMSO-D6