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(4R)-ISOPROPYL-9-AMINO-3,6-DIAZANONANE-TRIS-(TRIFLUOROACETATIC-ACID)-SALT
SpectraBase Compound ID 4MDQVCh5qjb
InChI InChI=1S/C10H25N3.3C2HF3O2/c1-4-13-10(9(2)3)8-12-7-5-6-11;3*3-2(4,5)1(6)7/h9-10,12-13H,4-8,11H2,1-3H3;3*(H,6,7)/t10-;;;/m1.../s1
InChIKey UBYNVWCFRVAKSI-FYBBWCNBSA-N
Mol Weight 529.401 g/mol
Molecular Formula C16H28F9N3O6
Exact Mass 529.183439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7P8onUDfJ1W
Name (4R)-ISOPROPYL-9-AMINO-3,6-DIAZANONANE-TRIS-(TRIFLUOROACETATIC-ACID)-SALT
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H28F9N3O6
InChI InChI=1S/C10H25N3.3C2HF3O2/c1-4-13-10(9(2)3)8-12-7-5-6-11;3*3-2(4,5)1(6)7/h9-10,12-13H,4-8,11H2,1-3H3;3*(H,6,7)/t10-;;;/m1.../s1
InChIKey UBYNVWCFRVAKSI-FYBBWCNBSA-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 529.400 g/mol
Solvent CD3OD
Source File Reference UWVN26146