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

View entire compound with spectra: 1 NMR

12-AMINO-(4R)-METHYL-(7S)-BENZYL-3,6,9-TRIAZAUNDECANE-TETRAKIS-(TRIFLUOROACETATIC-ACID)-SALT
SpectraBase Compound ID IExfFTyRaZC
InChI InChI=1S/C17H32N4.4C2HF3O2/c1-3-20-15(2)13-21-17(14-19-11-7-10-18)12-16-8-5-4-6-9-16;4*3-2(4,5)1(6)7/h4-6,8-9,15,17,19-21H,3,7,10-14,18H2,1-2H3;4*(H,6,7)/t15-,17+;;;;/m0..../s1
InChIKey ZJZOZLFLMALZFJ-AGMKCWFWSA-N
Mol Weight 748.564 g/mol
Molecular Formula C25H36F12N4O8
Exact Mass 748.234152 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EcCDm9RTh1x
Name 12-AMINO-(4R)-METHYL-(7S)-BENZYL-3,6,9-TRIAZAUNDECANE-TETRAKIS-(TRIFLUOROACETATIC-ACID)-SALT
Compound Number DL- 3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H36F12N4O8
InChI InChI=1S/C17H32N4.4C2HF3O2/c1-3-20-15(2)13-21-17(14-19-11-7-10-18)12-16-8-5-4-6-9-16;4*3-2(4,5)1(6)7/h4-6,8-9,15,17,19-21H,3,7,10-14,18H2,1-2H3;4*(H,6,7)/t15-,17+;;;;/m0..../s1
InChIKey ZJZOZLFLMALZFJ-AGMKCWFWSA-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 748.564 g/mol
Solvent CD3OD
Source File Reference UWVN26145