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#3A;1-[4-[4-[[[(1S,2S)-2-AMINO-1,2-DIPHENYLETHYL]-AMINO]-SULFONYL]-PHENOXY]-BUTYL]-3-METHYL-1H-IMIDAZOLIUM-MONO-(TRIFLUOROACETATE)-TRIFLUOROACETIC-ACID-SALT

View entire compound with spectra: 1 NMR

#3A;1-[4-[4-[[[(1S,2S)-2-AMINO-1,2-DIPHENYLETHYL]-AMINO]-SULFONYL]-PHENOXY]-BUTYL]-3-METHYL-1H-IMIDAZOLIUM-MONO-(TRIFLUOROACETATE)-TRIFLUOROACETIC-ACID-SALT
SpectraBase Compound ID 5SNopQGHyNv
InChI InChI=1S/C28H33N4O3S.2C2HF3O2/c1-31-19-20-32(22-31)18-8-9-21-35-25-14-16-26(17-15-25)36(33,34)30-28(24-12-6-3-7-13-24)27(29)23-10-4-2-5-11-23;2*3-2(4,5)1(6)7/h2-7,10-17,19-20,22,27-28,30H,8-9,18,21,29H2,1H3;2*(H,6,7)/q+1;;/p-1/t27-,28-;;/m0../s1
InChIKey WAXNJPWSNPYYFT-QLBXQKMFSA-M
Mol Weight 732.695 g/mol
Molecular Formula C32H34F6N4O7S
Exact Mass 732.20524 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9W893oUyibk
Name #3A;1-[4-[4-[[[(1S,2S)-2-AMINO-1,2-DIPHENYLETHYL]-AMINO]-SULFONYL]-PHENOXY]-BUTYL]-3-METHYL-1H-IMIDAZOLIUM-MONO-(TRIFLUOROACETATE)-TRIFLUOROACETIC-ACID-SALT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H34F6N4O7S
InChI InChI=1S/C28H33N4O3S.2C2HF3O2/c1-31-19-20-32(22-31)18-8-9-21-35-25-14-16-26(17-15-25)36(33,34)30-28(24-12-6-3-7-13-24)27(29)23-10-4-2-5-11-23;2*3-2(4,5)1(6)7/h2-7,10-17,19-20,22,27-28,30H,8-9,18,21,29H2,1H3;2*(H,6,7)/q+1;;/p-1/t27-,28-;;/m0../s1
InChIKey WAXNJPWSNPYYFT-QLBXQKMFSA-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 UWPA10001