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1,3,5,7-TETRAKIS-[4-(PYRIDYL-4'-YL)-PHENYL]-ADAMANTANE
SpectraBase Compound ID Iq5Myf2dbkG
InChI InChI=1S/C54H44N4/c1-9-47(10-2-39(1)43-17-25-55-26-18-43)51-33-52(48-11-3-40(4-12-48)44-19-27-56-28-20-44)36-53(34-51,49-13-5-41(6-14-49)45-21-29-57-30-22-45)38-54(35-51,37-52)50-15-7-42(8-16-50)46-23-31-58-32-24-46/h1-32H,33-38H2/t51-,52+,53-,54+
InChIKey LJFSFVVOLUZFTK-WNBATZQRSA-N
Mol Weight 749.0 g/mol
Molecular Formula C54H44N4
Exact Mass 748.356597 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A8mjqOlQc83
Name 1,3,5,7-TETRAKIS-[4-(PYRIDYL-4'-YL)-PHENYL]-ADAMANTANE
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H44N4
InChI InChI=1S/C54H44N4/c1-9-47(10-2-39(1)43-17-25-55-26-18-43)51-33-52(48-11-3-40(4-12-48)44-19-27-56-28-20-44)36-53(34-51,49-13-5-41(6-14-49)45-21-29-57-30-22-45)38-54(35-51,37-52)50-15-7-42(8-16-50)46-23-31-58-32-24-46/h1-32H,33-38H2/t51-,52+,53-,54+
InChIKey LJFSFVVOLUZFTK-WNBATZQRSA-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 748.970 g/mol
Solvent CDCl3
Source File Reference UWBT20850