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3-[4'-(2,3-DIHYDROXYPROPYLOXY)-3-(1H,1H,2H,2H,3H,3H-PERFLUOROUNDECYL)-BIPHENYL-4-YLOXY]-PROPANE-1,2-DIOL
SpectraBase Compound ID 1yP5nwWlMzc
InChI InChI=1S/C29H27F17O6/c30-22(31,23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)28(42,43)29(44,45)46)9-1-2-17-10-16(5-8-21(17)52-14-19(50)12-48)15-3-6-20(7-4-15)51-13-18(49)11-47/h3-8,10,18-19,47-50H,1-2,9,11-14H2
InChIKey LTWHWEUTOMRWEI-UHFFFAOYSA-N
Mol Weight 794.5 g/mol
Molecular Formula C29H27F17O6
Exact Mass 794.153617 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4PtmE1sgecU
Name 3-[4'-(2,3-DIHYDROXYPROPYLOXY)-3-(1H,1H,2H,2H,3H,3H-PERFLUOROUNDECYL)-BIPHENYL-4-YLOXY]-PROPANE-1,2-DIOL
Compound Number 2/8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H27F17O6
InChI InChI=1S/C29H27F17O6/c30-22(31,23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)28(42,43)29(44,45)46)9-1-2-17-10-16(5-8-21(17)52-14-19(50)12-48)15-3-6-20(7-4-15)51-13-18(49)11-47/h3-8,10,18-19,47-50H,1-2,9,11-14H2
InChIKey LTWHWEUTOMRWEI-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 UWLU50700