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3-[4'-(2,3-DIHYDROXYPROPYLOXY)-3-PERFLUOROBUTYLBIPHENYL-4-YLOXY]-1,2-DIOL
SpectraBase Compound ID 6D1ePZBn4wz
InChI InChI=1S/C22H21F9O6/c23-19(24,20(25,26)21(27,28)22(29,30)31)17-7-13(3-6-18(17)37-11-15(35)9-33)12-1-4-16(5-2-12)36-10-14(34)8-32/h1-7,14-15,32-35H,8-11H2
InChIKey POQNGOKCVXPSSY-UHFFFAOYSA-N
Mol Weight 552.39 g/mol
Molecular Formula C22H21F9O6
Exact Mass 552.119442 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A3dPWZ7a0Cr
Name 3-[4'-(2,3-DIHYDROXYPROPYLOXY)-3-PERFLUOROBUTYLBIPHENYL-4-YLOXY]-1,2-DIOL
Compound Number 4/4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21F9O6
InChI InChI=1S/C22H21F9O6/c23-19(24,20(25,26)21(27,28)22(29,30)31)17-7-13(3-6-18(17)37-11-15(35)9-33)12-1-4-16(5-2-12)36-10-14(34)8-32/h1-7,14-15,32-35H,8-11H2
InChIKey POQNGOKCVXPSSY-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 UWLU50706