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1,3,5,7-TETRAKIS-[4'-FLUORO-(1,1'-BIPHENYL)-4-YL]-ADAMANTANE

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1,3,5,7-TETRAKIS-[4'-FLUORO-(1,1'-BIPHENYL)-4-YL]-ADAMANTANE
SpectraBase Compound ID 7PhrI3qmOgj
InChI InChI=1S/C58H44F4/c59-51-25-9-43(10-26-51)39-1-17-47(18-2-39)55-33-56(48-19-3-40(4-20-48)44-11-27-52(60)28-12-44)36-57(34-55,49-21-5-41(6-22-49)45-13-29-53(61)30-14-45)38-58(35-55,37-56)50-23-7-42(8-24-50)46-15-31-54(62)32-16-46/h1-32H,33-38H2/t55-,56+,57-,58+
InChIKey QAZUKBIZJCGDAL-DDMMZKBGSA-N
Mol Weight 817.0 g/mol
Molecular Formula C58H44F4
Exact Mass 816.337914 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5vKmHwz18gN
Name 1,3,5,7-TETRAKIS-[4'-FLUORO-(1,1'-BIPHENYL)-4-YL]-ADAMANTANE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H44F4
InChI InChI=1S/C58H44F4/c59-51-25-9-43(10-26-51)39-1-17-47(18-2-39)55-33-56(48-19-3-40(4-20-48)44-11-27-52(60)28-12-44)36-57(34-55,49-21-5-41(6-22-49)45-13-29-53(61)30-14-45)38-58(35-55,37-56)50-23-7-42(8-24-50)46-15-31-54(62)32-16-46/h1-32H,33-38H2/t55-,56+,57-,58+
InChIKey QAZUKBIZJCGDAL-DDMMZKBGSA-N
Literature Reference Author C.I.SCHILLING,O.PLIETZSCH,M.NIEGER,T.MULLER,S.BRAESE
Literature Reference Citation EUR.J.ORG.CHEM.,2011,1743(2011)
Literature Reference DOI 10.1002/ejoc.201001567
Solvent CDCl3
Source File Reference UWBT20842