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1,3,5,7-TETRAKIS-[4'-METHOXY-(1,1'-BIPHENYL)-4-YL]-ADAMANTANE
SpectraBase Compound ID E7mJ8HooB6z
InChI InChI=1S/C62H56O4/c1-63-55-29-13-47(14-30-55)43-5-21-51(22-6-43)59-37-60(52-23-7-44(8-24-52)48-15-31-56(64-2)32-16-48)40-61(38-59,53-25-9-45(10-26-53)49-17-33-57(65-3)34-18-49)42-62(39-59,41-60)54-27-11-46(12-28-54)50-19-35-58(66-4)36-20-50/h5-36H,37-42H2,1-4H3/t59-,60+,61-,62+
InChIKey IOOMYLQHRRZALI-INAWKSNHSA-N
Mol Weight 865.1 g/mol
Molecular Formula C62H56O4
Exact Mass 864.41786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IDLpcDW8yQb
Name 1,3,5,7-TETRAKIS-[4'-METHOXY-(1,1'-BIPHENYL)-4-YL]-ADAMANTANE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H56O4
InChI InChI=1S/C62H56O4/c1-63-55-29-13-47(14-30-55)43-5-21-51(22-6-43)59-37-60(52-23-7-44(8-24-52)48-15-31-56(64-2)32-16-48)40-61(38-59,53-25-9-45(10-26-53)49-17-33-57(65-3)34-18-49)42-62(39-59,41-60)54-27-11-46(12-28-54)50-19-35-58(66-4)36-20-50/h5-36H,37-42H2,1-4H3/t59-,60+,61-,62+
InChIKey IOOMYLQHRRZALI-INAWKSNHSA-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
Molecular Weight 865.124 g/mol
Solvent CDCl3
Source File Reference UWBT20840