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3-[4'-(2,3-DIHYDROXYPROPYLOXY)-3-(1H,1H,2H,2H,3H,3H,4H,4H,5H,5H,6H,6H-PERFLUOROOCTADECYLOXY)-BIPHENYL-4-YLOXY]-PROPANE-1,2-DIOL

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3-[4'-(2,3-DIHYDROXYPROPYLOXY)-3-(1H,1H,2H,2H,3H,3H,4H,4H,5H,5H,6H,6H-PERFLUOROOCTADECYLOXY)-BIPHENYL-4-YLOXY]-PROPANE-1,2-DIOL
SpectraBase Compound ID DBD4O3f6pDA
InChI InChI=1S/C36H33F25O7/c37-25(38,11-3-1-2-4-12-66-24-13-19(7-10-23(24)68-17-21(65)15-63)18-5-8-22(9-6-18)67-16-20(64)14-62)26(39,40)27(41,42)28(43,44)29(45,46)30(47,48)31(49,50)32(51,52)33(53,54)34(55,56)35(57,58)36(59,60)61/h5-10,13,20-21,62-65H,1-4,11-12,14-17H2
InChIKey FZXADTJRWTVIAQ-UHFFFAOYSA-N
Mol Weight 1052.6 g/mol
Molecular Formula C36H33F25O7
Exact Mass 1052.182707 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5iBCub9U3JQ
Name 3-[4'-(2,3-DIHYDROXYPROPYLOXY)-3-(1H,1H,2H,2H,3H,3H,4H,4H,5H,5H,6H,6H-PERFLUOROOCTADECYLOXY)-BIPHENYL-4-YLOXY]-PROPANE-1,2-DIOL
Compound Number 3/12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H33F25O7
InChI InChI=1S/C36H33F25O7/c37-25(38,11-3-1-2-4-12-66-24-13-19(7-10-23(24)68-17-21(65)15-63)18-5-8-22(9-6-18)67-16-20(64)14-62)26(39,40)27(41,42)28(43,44)29(45,46)30(47,48)31(49,50)32(51,52)33(53,54)34(55,56)35(57,58)36(59,60)61/h5-10,13,20-21,62-65H,1-4,11-12,14-17H2
InChIKey FZXADTJRWTVIAQ-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 C5D5N
Source File Reference UWLU50705