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1-(3-AMMONIOPROPYL)--9-H-[3.4-B]-INDOL-INDOL-2-IUM_DITRIFLUOROACETIC_ACID_SALT
SpectraBase Compound ID 6CvwrKRQXtj
InChI InChI=1S/C14H15N3.2C2HF3O2/c15-8-3-6-13-14-11(7-9-16-13)10-4-1-2-5-12(10)17-14;2*3-2(4,5)1(6)7/h1-2,4-5,7,9,17H,3,6,8,15H2;2*(H,6,7)
InChIKey JMQOOQIRXZQOME-UHFFFAOYSA-N
Mol Weight 453.341 g/mol
Molecular Formula C18H17F6N3O4
Exact Mass 453.112325 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6aZfKrlc0ry
Name 1-(3-AMMONIOPROPYL)--9-H-[3.4-B]-INDOL-INDOL-2-IUM_DITRIFLUOROACETIC_ACID_SALT
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17F6N3O4
InChI InChI=1S/C14H15N3.2C2HF3O2/c15-8-3-6-13-14-11(7-9-16-13)10-4-1-2-5-12(10)17-14;2*3-2(4,5)1(6)7/h1-2,4-5,7,9,17H,3,6,8,15H2;2*(H,6,7)
InChIKey JMQOOQIRXZQOME-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 453.341 g/mol
Sample ID 39263
Solvent CDCl3