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1-[4-[4-[[[(1S,2S)-2-AMINO-1,2-DIPHENYLETHYL]-AMINO]-SULFONYL]-PHENOXY]-BUTYL]-PYRIDINIUM-MONO-(TRIFLUOROACETATE)-TRIFLUOROACETIC-ACID-SALT

View entire compound with spectra: 1 NMR

1-[4-[4-[[[(1S,2S)-2-AMINO-1,2-DIPHENYLETHYL]-AMINO]-SULFONYL]-PHENOXY]-BUTYL]-PYRIDINIUM-MONO-(TRIFLUOROACETATE)-TRIFLUOROACETIC-ACID-SALT
SpectraBase Compound ID 33Ym3UX3RHI
InChI InChI=1S/C29H32N3O3S.2C2HF3O2/c30-28(24-12-4-1-5-13-24)29(25-14-6-2-7-15-25)31-36(33,34)27-18-16-26(17-19-27)35-23-11-10-22-32-20-8-3-9-21-32;2*3-2(4,5)1(6)7/h1-9,12-21,28-29,31H,10-11,22-23,30H2;2*(H,6,7)/q+1;;/p-1/t28-,29-;;/m0../s1
InChIKey WYIZBKFMACNLRY-GDUXWEAWSA-M
Mol Weight 729.691 g/mol
Molecular Formula C33H33F6N3O7S
Exact Mass 729.194341 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4xuOlZLgltJ
Name 1-[4-[4-[[[(1S,2S)-2-AMINO-1,2-DIPHENYLETHYL]-AMINO]-SULFONYL]-PHENOXY]-BUTYL]-PYRIDINIUM-MONO-(TRIFLUOROACETATE)-TRIFLUOROACETIC-ACID-SALT
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H33F6N3O7S
InChI InChI=1S/C29H32N3O3S.2C2HF3O2/c30-28(24-12-4-1-5-13-24)29(25-14-6-2-7-15-25)31-36(33,34)27-18-16-26(17-19-27)35-23-11-10-22-32-20-8-3-9-21-32;2*3-2(4,5)1(6)7/h1-9,12-21,28-29,31H,10-11,22-23,30H2;2*(H,6,7)/q+1;;/p-1/t28-,29-;;/m0../s1
InChIKey WYIZBKFMACNLRY-GDUXWEAWSA-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 UWPA10003