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3-[4'-HYDROXY-3-(1H,1H,2H,2H,3H,3H-PERFUOROHEXYL)-BIPHENYL-4-YLOXY]-PROPANE-1,2-DIOL
SpectraBase Compound ID Bgs9m796dkK
InChI InChI=1S/C21H21F7O4/c22-19(23,20(24,25)21(26,27)28)9-1-2-15-10-14(13-3-6-16(30)7-4-13)5-8-18(15)32-12-17(31)11-29/h3-8,10,17,29-31H,1-2,9,11-12H2
InChIKey JREMPMDLJJYIIX-UHFFFAOYSA-N
Mol Weight 470.38 g/mol
Molecular Formula C21H21F7O4
Exact Mass 470.132806 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HVe6B1MZZ1r
Name 3-[4'-HYDROXY-3-(1H,1H,2H,2H,3H,3H-PERFUOROHEXYL)-BIPHENYL-4-YLOXY]-PROPANE-1,2-DIOL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21F7O4
InChI InChI=1S/C21H21F7O4/c22-19(23,20(24,25)21(26,27)28)9-1-2-15-10-14(13-3-6-16(30)7-4-13)5-8-18(15)32-12-17(31)11-29/h3-8,10,17,29-31H,1-2,9,11-12H2
InChIKey JREMPMDLJJYIIX-UHFFFAOYSA-N
Literature Reference Author X.CHENG,M.K.DAS,U.BAUMEISTER,S.DIELE,C.TSCHIERSKE
Literature Reference Citation J.AM.CHEM.SOC.,126,12930(2004)
Literature Reference DOI 10.1021/ja048224v
Solvent DMSO-D6
Source File Reference UWLU34722