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#3F;1-[4-[4-[[[(1S,2S)-2-AMINO-1,2-DIPHENYLETHYL]-AMINO]-SULFONYL]-PHENOXY]-BUTYL]-1-N-BUTYL-N,N-DIMETHYLAMMONIUM-MONO-(TRIFLUOROACETATE)-TRIFLUOROACETIC-ACID-
SpectraBase Compound ID 7lUjFbDOsR0
InChI InChI=1S/C30H42N3O3S.2C2HF3O2/c1-4-5-22-33(2,3)23-12-13-24-36-27-18-20-28(21-19-27)37(34,35)32-30(26-16-10-7-11-17-26)29(31)25-14-8-6-9-15-25;2*3-2(4,5)1(6)7/h6-11,14-21,29-30,32H,4-5,12-13,22-24,31H2,1-3H3;2*(H,6,7)/q+1;;/p-1/t29-,30-;;/m0../s1
InChIKey AQVZHJFVDVIECH-ARDORAJISA-M
Mol Weight 751.782 g/mol
Molecular Formula C34H43F6N3O7S
Exact Mass 751.272591 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AXRdGtVckOg
Name #3F;1-[4-[4-[[[(1S,2S)-2-AMINO-1,2-DIPHENYLETHYL]-AMINO]-SULFONYL]-PHENOXY]-BUTYL]-1-N-BUTYL-N,N-DIMETHYLAMMONIUM-MONO-(TRIFLUOROACETATE)-TRIFLUOROACETIC-ACID-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H43F6N3O7S
InChI InChI=1S/C30H42N3O3S.2C2HF3O2/c1-4-5-22-33(2,3)23-12-13-24-36-27-18-20-28(21-19-27)37(34,35)32-30(26-16-10-7-11-17-26)29(31)25-14-8-6-9-15-25;2*3-2(4,5)1(6)7/h6-11,14-21,29-30,32H,4-5,12-13,22-24,31H2,1-3H3;2*(H,6,7)/q+1;;/p-1/t29-,30-;;/m0../s1
InChIKey AQVZHJFVDVIECH-ARDORAJISA-M
Literature Reference Author H.UCHIMOTO,T.TSUJI,I.KAWASAKI,K.ARIMITSU,H.YASUI,M.YAMASHITA ,S.OHTA,K.NISHIDE
Literature Reference Citation CHEM.PHARM.BULL.,63,200(2015)
Literature Reference DOI 10.1248/cpb.c14-00747
Solvent CD3OD
Source File Reference UWPA10006