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3-[4'-(2,3-DIHYDROXYPROPYLOXY)-3-(1H,1H,2H,2H,3H,3H-PERFLUOROPENTADECYL)-BIPHENYL-4-YLOXY]-PROPANE-1,2-DIOL
SpectraBase Compound ID HjyP621ub9s
InChI InChI=1S/C33H27F25O6/c34-22(35,9-1-2-17-10-16(5-8-21(17)64-14-19(62)12-60)15-3-6-20(7-4-15)63-13-18(61)11-59)23(36,37)24(38,39)25(40,41)26(42,43)27(44,45)28(46,47)29(48,49)30(50,51)31(52,53)32(54,55)33(56,57)58/h3-8,10,18-19,59-62H,1-2,9,11-14H2
InChIKey COEBRYFJAXTFEG-UHFFFAOYSA-N
Mol Weight 994.5 g/mol
Molecular Formula C33H27F25O6
Exact Mass 994.140843 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID mrCUv7gUip
Name 3-[4'-(2,3-DIHYDROXYPROPYLOXY)-3-(1H,1H,2H,2H,3H,3H-PERFLUOROPENTADECYL)-BIPHENYL-4-YLOXY]-PROPANE-1,2-DIOL
Compound Number 2/12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H27F25O6
InChI InChI=1S/C33H27F25O6/c34-22(35,9-1-2-17-10-16(5-8-21(17)64-14-19(62)12-60)15-3-6-20(7-4-15)63-13-18(61)11-59)23(36,37)24(38,39)25(40,41)26(42,43)27(44,45)28(46,47)29(48,49)30(50,51)31(52,53)32(54,55)33(56,57)58/h3-8,10,18-19,59-62H,1-2,9,11-14H2
InChIKey COEBRYFJAXTFEG-UHFFFAOYSA-N
Literature Reference Author X.CHENG,M.PREHM,M.K.DAS,J.KAIN,U.BAUMEISTER,S.DIELE,D.LEINE, A.BLUME,C.TSCHIERSKE
Literature Reference Citation J.AM.CHEM.SOC.,125,10977(2003)
Literature Reference DOI 10.1021/ja036213g
Solvent ACETONE-D6
Source File Reference UWLU50703