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#15;1-[6-[4-[[[(1S,2S)-2-AMINO-1,2-DIPHENYLETHYL]-AMINO]-SULFONYL]-PHENOXY]-HEXYL]-3-METHYL-1H-IMIDAZOLIUM-MONO-(TRIFLUOROACETATE)-TRIFLUOROACETIC-ACID-SALT

View entire compound with spectra: 1 NMR

#15;1-[6-[4-[[[(1S,2S)-2-AMINO-1,2-DIPHENYLETHYL]-AMINO]-SULFONYL]-PHENOXY]-HEXYL]-3-METHYL-1H-IMIDAZOLIUM-MONO-(TRIFLUOROACETATE)-TRIFLUOROACETIC-ACID-SALT
SpectraBase Compound ID G1Bid0em1AX
InChI InChI=1S/C30H37N4O3S.2C2HF3O2/c1-33-21-22-34(24-33)20-10-2-3-11-23-37-27-16-18-28(19-17-27)38(35,36)32-30(26-14-8-5-9-15-26)29(31)25-12-6-4-7-13-25;2*3-2(4,5)1(6)7/h4-9,12-19,21-22,24,29-30,32H,2-3,10-11,20,23,31H2,1H3;2*(H,6,7)/q+1;;/p-1/t29-,30-;;/m0../s1
InChIKey DLCRBPJDTCTCCJ-ARDORAJISA-M
Mol Weight 760.749 g/mol
Molecular Formula C34H38F6N4O7S
Exact Mass 760.23654 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FbsHl4qyB5U
Name #15;1-[6-[4-[[[(1S,2S)-2-AMINO-1,2-DIPHENYLETHYL]-AMINO]-SULFONYL]-PHENOXY]-HEXYL]-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 C34H38F6N4O7S
InChI InChI=1S/C30H37N4O3S.2C2HF3O2/c1-33-21-22-34(24-33)20-10-2-3-11-23-37-27-16-18-28(19-17-27)38(35,36)32-30(26-14-8-5-9-15-26)29(31)25-12-6-4-7-13-25;2*3-2(4,5)1(6)7/h4-9,12-19,21-22,24,29-30,32H,2-3,10-11,20,23,31H2,1H3;2*(H,6,7)/q+1;;/p-1/t29-,30-;;/m0../s1
InChIKey DLCRBPJDTCTCCJ-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 UWPA10008