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3-[4'-(2,3-DIHYDROXYPROPYLOXY)-3-(1H,1H,2H,2H,3H,3H-PERFLUOROISODECYL)-BIPHENYL-4-YLOXY]-PROPANE-1,2-DIOL
SpectraBase Compound ID 45GigtOnmY2
InChI InChI=1S/C30H27F19O6/c31-22(32,24(34,35)26(38,39)28(42,43)27(40,41)25(36,37)23(33,29(44,45)46)30(47,48)49)9-1-2-17-10-16(5-8-21(17)55-14-19(53)12-51)15-3-6-20(7-4-15)54-13-18(52)11-50/h3-8,10,18-19,50-53H,1-2,9,11-14H2
InChIKey UVMIAMMHNYKLAO-UHFFFAOYSA-N
Mol Weight 844.51 g/mol
Molecular Formula C30H27F19O6
Exact Mass 844.150424 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JhBxxBWMyQh
Name 3-[4'-(2,3-DIHYDROXYPROPYLOXY)-3-(1H,1H,2H,2H,3H,3H-PERFLUOROISODECYL)-BIPHENYL-4-YLOXY]-PROPANE-1,2-DIOL
Compound Number 2/I9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H27F19O6
InChI InChI=1S/C30H27F19O6/c31-22(32,24(34,35)26(38,39)28(42,43)27(40,41)25(36,37)23(33,29(44,45)46)30(47,48)49)9-1-2-17-10-16(5-8-21(17)55-14-19(53)12-51)15-3-6-20(7-4-15)54-13-18(52)11-50/h3-8,10,18-19,50-53H,1-2,9,11-14H2
InChIKey UVMIAMMHNYKLAO-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 DMSO-D6
Source File Reference UWLU50701