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1-(3-(9-H-PYRIDO-[3.4-B]-INDOL-1-YL)-PROPYL)-GUANIDINE_DITRIFLUOROACETATE_SALT
SpectraBase Compound ID AOPJ9aL2eJX
InChI InChI=1S/C15H17N5.2C2HF3O2/c16-15(17)19-8-3-6-13-14-11(7-9-18-13)10-4-1-2-5-12(10)20-14;2*3-2(4,5)1(6)7/h1-2,4-5,7,9,20H,3,6,8H2,(H4,16,17,19);2*(H,6,7)
InChIKey ZEWCZQMVWHCLHD-UHFFFAOYSA-N
Mol Weight 495.382 g/mol
Molecular Formula C19H19F6N5O4
Exact Mass 495.134123 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fy2xYi4P3DZ
Name 1-(3-(9-H-PYRIDO-[3.4-B]-INDOL-1-YL)-PROPYL)-GUANIDINE_DITRIFLUOROACETATE_SALT
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H19F6N5O4
InChI InChI=1S/C15H17N5.2C2HF3O2/c16-15(17)19-8-3-6-13-14-11(7-9-18-13)10-4-1-2-5-12(10)20-14;2*3-2(4,5)1(6)7/h1-2,4-5,7,9,20H,3,6,8H2,(H4,16,17,19);2*(H,6,7)
InChIKey ZEWCZQMVWHCLHD-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 495.381 g/mol
Sample ID 39257
Solvent CD3OD