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3-[4'-(2,3-DIHYDROXYPROPYLOXY)-2-(1H,1H,2H,2H,3H,3H-PERFLUOROTRIDECYL)-BIPHENYL-4-YLOXY]-PROPANE-1,2-DIOL
SpectraBase Compound ID 8iaoKpgraFx
InChI InChI=1S/C31H27F21O6/c32-22(33,23(34,35)24(36,37)25(38,39)26(40,41)27(42,43)28(44,45)29(46,47)30(48,49)31(50,51)52)9-1-2-16-10-20(58-14-18(56)12-54)7-8-21(16)15-3-5-19(6-4-15)57-13-17(55)11-53/h3-8,10,17-18,53-56H,1-2,9,11-14H2
InChIKey NSXDUUADZOFSTK-UHFFFAOYSA-N
Mol Weight 894.52 g/mol
Molecular Formula C31H27F21O6
Exact Mass 894.14723 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FMBP070Ip8p
Name 3-[4'-(2,3-DIHYDROXYPROPYLOXY)-2-(1H,1H,2H,2H,3H,3H-PERFLUOROTRIDECYL)-BIPHENYL-4-YLOXY]-PROPANE-1,2-DIOL
Compound Number 5/10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H27F21O6
InChI InChI=1S/C31H27F21O6/c32-22(33,23(34,35)24(36,37)25(38,39)26(40,41)27(42,43)28(44,45)29(46,47)30(48,49)31(50,51)52)9-1-2-16-10-20(58-14-18(56)12-54)7-8-21(16)15-3-5-19(6-4-15)57-13-17(55)11-53/h3-8,10,17-18,53-56H,1-2,9,11-14H2
InChIKey NSXDUUADZOFSTK-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 UWLU50711