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(4S)-PARA-HYDROXYBENZYL-9-AMINO-3,6-DIAZANONANE-TRIS-(TRIFLUOROACETATIC-ACID)-SALT
SpectraBase Compound ID 6cou8T7VTJd
InChI InChI=1S/C14H25N3O.3C2HF3O2/c1-2-17-13(11-16-9-3-8-15)10-12-4-6-14(18)7-5-12;3*3-2(4,5)1(6)7/h4-7,13,16-18H,2-3,8-11,15H2,1H3;3*(H,6,7)/t13-;;;/m0.../s1
InChIKey IWOKXGDZYUSYQN-JEZXJMRTSA-N
Mol Weight 593.444 g/mol
Molecular Formula C20H28F9N3O7
Exact Mass 593.178354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F3UTS0nfGJh
Name (4S)-PARA-HYDROXYBENZYL-9-AMINO-3,6-DIAZANONANE-TRIS-(TRIFLUOROACETATIC-ACID)-SALT
Compound Number 8C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28F9N3O7
InChI InChI=1S/C14H25N3O.3C2HF3O2/c1-2-17-13(11-16-9-3-8-15)10-12-4-6-14(18)7-5-12;3*3-2(4,5)1(6)7/h4-7,13,16-18H,2-3,8-11,15H2,1H3;3*(H,6,7)/t13-;;;/m0.../s1
InChIKey IWOKXGDZYUSYQN-JEZXJMRTSA-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 593.444 g/mol
Solvent CD3OD
Source File Reference UWVN26148