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(4R)-(TERT.-BUTYL)-THIOMETHYL-9-AMINO-3,6-DIAZANONANE-TRIS-(TRIFLUOROACETATIC-ACID)-SALT
SpectraBase Compound ID Jwhoa1Av3aT
InChI InChI=1S/C12H29N3S.3C2HF3O2/c1-5-15-11(9-14-8-6-7-13)10-16-12(2,3)4;3*3-2(4,5)1(6)7/h11,14-15H,5-10,13H2,1-4H3;3*(H,6,7)/t11-;;;/m1.../s1
InChIKey CDKIPZBLRCQAOL-HCEFKKQBSA-N
Mol Weight 589.515 g/mol
Molecular Formula C18H32F9N3O6S
Exact Mass 589.18681 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EuqAEGCzIdx
Name (4R)-(TERT.-BUTYL)-THIOMETHYL-9-AMINO-3,6-DIAZANONANE-TRIS-(TRIFLUOROACETATIC-ACID)-SALT
Compound Number 8E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H32F9N3O6S
InChI InChI=1S/C12H29N3S.3C2HF3O2/c1-5-15-11(9-14-8-6-7-13)10-16-12(2,3)4;3*3-2(4,5)1(6)7/h11,14-15H,5-10,13H2,1-4H3;3*(H,6,7)/t11-;;;/m1.../s1
InChIKey CDKIPZBLRCQAOL-HCEFKKQBSA-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 589.514 g/mol
Solvent CD3OD
Source File Reference UWVN26150