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1-(4-(9-H-PYRIDO-[3.4-B]-INDOL-1-YL)-BUTYL)-GUANIDINE_TRIFLUOROACETIC_ACID_SALT
SpectraBase Compound ID Amu8bpycOEH
InChI InChI=1S/C16H19N5.C2HF3O2/c17-16(18)20-9-4-3-7-14-15-12(8-10-19-14)11-5-1-2-6-13(11)21-15;3-2(4,5)1(6)7/h1-2,5-6,8,10,21H,3-4,7,9H2,(H4,17,18,20);(H,6,7)/p+1
InChIKey UPOZPNVXXIYRPW-UHFFFAOYSA-O
Mol Weight 396.39 g/mol
Molecular Formula C18H21F3N5O2
Exact Mass 396.164734 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1zyMDfF9Eg1
Name 1-(4-(9-H-PYRIDO-[3.4-B]-INDOL-1-YL)-BUTYL)-GUANIDINE_TRIFLUOROACETIC_ACID_SALT
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H21F3N5O2
InChI InChI=1S/C16H19N5.C2HF3O2/c17-16(18)20-9-4-3-7-14-15-12(8-10-19-14)11-5-1-2-6-13(11)21-15;3-2(4,5)1(6)7/h1-2,5-6,8,10,21H,3-4,7,9H2,(H4,17,18,20);(H,6,7)/p+1
InChIKey UPOZPNVXXIYRPW-UHFFFAOYSA-O
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
Solvent HET
Source File Reference UWMZ39256