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N-(6)-METHYL-12-AMINO-(4S)-METHYL-(7S)-BENZYL-3,6,9-TRIAZAUNDECANE-TETRAKIS-(TRIFLUOROACETATIC-ACID)-SALT

View entire compound with spectra: 1 NMR

N-(6)-METHYL-12-AMINO-(4S)-METHYL-(7S)-BENZYL-3,6,9-TRIAZAUNDECANE-TETRAKIS-(TRIFLUOROACETATIC-ACID)-SALT
SpectraBase Compound ID LltSbytKqMH
InChI InChI=1S/C18H34N4.4C2HF3O2/c1-4-21-16(2)15-22(3)18(14-20-12-8-11-19)13-17-9-6-5-7-10-17;4*3-2(4,5)1(6)7/h5-7,9-10,16,18,20-21H,4,8,11-15,19H2,1-3H3;4*(H,6,7)/t16-,18-;;;;/m0..../s1
InChIKey LLQSJPPGXHQXJO-UXQWTKADSA-N
Mol Weight 762.591 g/mol
Molecular Formula C26H38F12N4O8
Exact Mass 762.249802 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7cREH94aAss
Name N-(6)-METHYL-12-AMINO-(4S)-METHYL-(7S)-BENZYL-3,6,9-TRIAZAUNDECANE-TETRAKIS-(TRIFLUOROACETATIC-ACID)-SALT
Compound Number 20
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H38F12N4O8
InChI InChI=1S/C18H34N4.4C2HF3O2/c1-4-21-16(2)15-22(3)18(14-20-12-8-11-19)13-17-9-6-5-7-10-17;4*3-2(4,5)1(6)7/h5-7,9-10,16,18,20-21H,4,8,11-15,19H2,1-3H3;4*(H,6,7)/t16-,18-;;;;/m0..../s1
InChIKey LLQSJPPGXHQXJO-UXQWTKADSA-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 762.591 g/mol
Solvent CD3OD
Source File Reference UWVN26156