For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
N-(3,6,9)-TRIISOBUTYRYL-12-AMINO-(4S)-METHYL-(7S)-BENZYL-3,6,9-TRIAZAUNDECANE-TETRAKIS-(TRIFLUOROACETATIC-ACID)-SALT
SpectraBase Compound ID AB9kQuRkyIw
InChI InChI=1S/2C26H50N4.8C2HF3O2/c2*1-9-29(22(4)5)24(8)19-30(23(6)7)26(18-25-14-11-10-12-15-25)20-28(21(2)3)17-13-16-27;8*3-2(4,5)1(6)7/h2*10-12,14-15,21-24,26H,9,13,16-20,27H2,1-8H3;8*(H,6,7)/t2*24-,26-;;;;;;;;/m00......../s1
InChIKey QCZVYCRVWHFUDB-GDQLXNIRSA-N
Mol Weight 1749.614 g/mol
Molecular Formula C68H108F24N8O16
Exact Mass 1748.750005 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CfQXkdyG5rq
Name N-(3,6,9)-TRIISOBUTYRYL-12-AMINO-(4S)-METHYL-(7S)-BENZYL-3,6,9-TRIAZAUNDECANE-TETRAKIS-(TRIFLUOROACETATIC-ACID)-SALT
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C68H108F24N8O16
InChI InChI=1S/2C26H50N4.8C2HF3O2/c2*1-9-29(22(4)5)24(8)19-30(23(6)7)26(18-25-14-11-10-12-15-25)20-28(21(2)3)17-13-16-27;8*3-2(4,5)1(6)7/h2*10-12,14-15,21-24,26H,9,13,16-20,27H2,1-8H3;8*(H,6,7)/t2*24-,26-;;;;;;;;/m00......../s1
InChIKey QCZVYCRVWHFUDB-GDQLXNIRSA-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 1749.611 g/mol
Solvent CD3OD
Source File Reference UWVN26155