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#3D;1-[4-[4-[[[(1S,2S)-2-AMINO-1,2-DIPHENYLETHYL]-AMINO]-SULFONYL]-PHENOXY]-BUTYL]-3-METHYLBENZIMIDAZOLIUM-MONO-(TRIFLUOROACETATE)-TRIFLUOROACETIC-ACID-SALT

View entire compound with spectra: 1 NMR

#3D;1-[4-[4-[[[(1S,2S)-2-AMINO-1,2-DIPHENYLETHYL]-AMINO]-SULFONYL]-PHENOXY]-BUTYL]-3-METHYLBENZIMIDAZOLIUM-MONO-(TRIFLUOROACETATE)-TRIFLUOROACETIC-ACID-SALT
SpectraBase Compound ID A7Ixejvn9Tv
InChI InChI=1S/C32H35N4O3S.2C2HF3O2/c1-35-24-36(30-17-9-8-16-29(30)35)22-10-11-23-39-27-18-20-28(21-19-27)40(37,38)34-32(26-14-6-3-7-15-26)31(33)25-12-4-2-5-13-25;2*3-2(4,5)1(6)7/h2-9,12-21,24,31-32,34H,10-11,22-23,33H2,1H3;2*(H,6,7)/q+1;;/p-1/t31-,32-;;/m0../s1
InChIKey SDZUGRWAQMYNKN-PZCBAQPOSA-M
Mol Weight 782.755 g/mol
Molecular Formula C36H36F6N4O7S
Exact Mass 782.22089 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cb3CIbzoYyu
Name #3D;1-[4-[4-[[[(1S,2S)-2-AMINO-1,2-DIPHENYLETHYL]-AMINO]-SULFONYL]-PHENOXY]-BUTYL]-3-METHYLBENZIMIDAZOLIUM-MONO-(TRIFLUOROACETATE)-TRIFLUOROACETIC-ACID-SALT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H36F6N4O7S
InChI InChI=1S/C32H35N4O3S.2C2HF3O2/c1-35-24-36(30-17-9-8-16-29(30)35)22-10-11-23-39-27-18-20-28(21-19-27)40(37,38)34-32(26-14-6-3-7-15-26)31(33)25-12-4-2-5-13-25;2*3-2(4,5)1(6)7/h2-9,12-21,24,31-32,34H,10-11,22-23,33H2,1H3;2*(H,6,7)/q+1;;/p-1/t31-,32-;;/m0../s1
InChIKey SDZUGRWAQMYNKN-PZCBAQPOSA-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 UWPA10004