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(4S)-BENZYL-9-AMINO-3,6-DIAZANONANE-TRIS-(TRIFLUOROACETATIC-ACID)-SALT
SpectraBase Compound ID KMJ9w0eeZP4
InChI InChI=1S/C14H25N3.3C2HF3O2/c1-2-17-14(12-16-10-6-9-15)11-13-7-4-3-5-8-13;3*3-2(4,5)1(6)7/h3-5,7-8,14,16-17H,2,6,9-12,15H2,1H3;3*(H,6,7)/t14-;;;/m0.../s1
InChIKey HIATYDAZANJLEK-ZSOSHZMMSA-N
Mol Weight 577.445 g/mol
Molecular Formula C20H28F9N3O6
Exact Mass 577.183439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8d12PE9Vg37
Name (4S)-BENZYL-9-AMINO-3,6-DIAZANONANE-TRIS-(TRIFLUOROACETATIC-ACID)-SALT
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28F9N3O6
InChI InChI=1S/C14H25N3.3C2HF3O2/c1-2-17-14(12-16-10-6-9-15)11-13-7-4-3-5-8-13;3*3-2(4,5)1(6)7/h3-5,7-8,14,16-17H,2,6,9-12,15H2,1H3;3*(H,6,7)/t14-;;;/m0.../s1
InChIKey HIATYDAZANJLEK-ZSOSHZMMSA-N
Literature Reference Author S.MANKU,C.LAPLANTE,D.KOPAC,T.CHAN,D.G.HALL
Literature Reference Citation J.ORG.CHEM.,66,874(2001)
Literature Reference DOI 10.1021/jo005647g
Molecular Weight 577.444 g/mol
Solvent CD3OD
Source File Reference UWVN26147