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3-[4'-(2,3-DIHYDROXYPROPYLOXY)-2-(1H,1H,2H,2H,3H,3H-PERFLUORONONYL)-BIPHENYL-4-YLOXY]-PROPANE-1,2-DIOL
SpectraBase Compound ID FpEr0ujMuAC
InChI InChI=1S/C27H27F13O6/c28-22(29,23(30,31)24(32,33)25(34,35)26(36,37)27(38,39)40)9-1-2-16-10-20(46-14-18(44)12-42)7-8-21(16)15-3-5-19(6-4-15)45-13-17(43)11-41/h3-8,10,17-18,41-44H,1-2,9,11-14H2
InChIKey VICQLGPNQHONGE-UHFFFAOYSA-N
Mol Weight 694.49 g/mol
Molecular Formula C27H27F13O6
Exact Mass 694.160005 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GFYRPSP7Ox1
Name 3-[4'-(2,3-DIHYDROXYPROPYLOXY)-2-(1H,1H,2H,2H,3H,3H-PERFLUORONONYL)-BIPHENYL-4-YLOXY]-PROPANE-1,2-DIOL
Compound Number 5/6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H27F13O6
InChI InChI=1S/C27H27F13O6/c28-22(29,23(30,31)24(32,33)25(34,35)26(36,37)27(38,39)40)9-1-2-16-10-20(46-14-18(44)12-42)7-8-21(16)15-3-5-19(6-4-15)45-13-17(43)11-41/h3-8,10,17-18,41-44H,1-2,9,11-14H2
InChIKey VICQLGPNQHONGE-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 UWLU50709