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1-(4-AMMONIOBUTYL)--9-H-[3.4-B]-INDOL-INDOL-2-IUM_DITRIFLUOROACETIC_ACID_SALT
SpectraBase Compound ID 4NI6TjC3LsG
InChI InChI=1S/C15H17N3.2C2HF3O2/c16-9-4-3-7-14-15-12(8-10-17-14)11-5-1-2-6-13(11)18-15;2*3-2(4,5)1(6)7/h1-2,5-6,8,10,18H,3-4,7,9,16H2;2*(H,6,7)
InChIKey GBDIOEKMKZJWMN-UHFFFAOYSA-N
Mol Weight 467.368 g/mol
Molecular Formula C19H19F6N3O4
Exact Mass 467.127975 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5oKPlbOr3kA
Name 1-(4-AMMONIOBUTYL)--9-H-[3.4-B]-INDOL-INDOL-2-IUM_DITRIFLUOROACETIC_ACID_SALT
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H19F6N3O4
InChI InChI=1S/C15H17N3.2C2HF3O2/c16-9-4-3-7-14-15-12(8-10-17-14)11-5-1-2-6-13(11)18-15;2*3-2(4,5)1(6)7/h1-2,5-6,8,10,18H,3-4,7,9,16H2;2*(H,6,7)
InChIKey GBDIOEKMKZJWMN-UHFFFAOYSA-N
Literature Reference Author S.T.S.CHAN,A.N.PEARCE,M.J.PAGE,M.KAISER,B.R.COPP
Literature Reference Citation J.NAT.PROD.,74,1972(2011)
Literature Reference DOI 10.1021/np200509g
Molecular Weight 467.368 g/mol
Sample ID 39262
Solvent CDCl3