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1,3,5,7-TETRAKIS-[4-(PYRIDYL-2'-YL-ETHYNYL)-PHENYL]-ADAMANTANE
SpectraBase Compound ID AxOtD9IRxCG
InChI InChI=1S/C62H44N4/c1-5-51(37-63-33-1)13-9-47-17-25-55(26-18-47)59-41-60(56-27-19-48(20-28-56)10-14-52-6-2-34-64-38-52)44-61(42-59,57-29-21-49(22-30-57)11-15-53-7-3-35-65-39-53)46-62(43-59,45-60)58-31-23-50(24-32-58)12-16-54-8-4-36-66-40-54/h1-8,17-40H,41-46H2/t59-,60+,61-,62+
InChIKey BTKQDSILWATQMY-INAWKSNHSA-N
Mol Weight 845.1 g/mol
Molecular Formula C62H44N4
Exact Mass 844.356597 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8lc84OnfhFL
Name 1,3,5,7-TETRAKIS-[4-(PYRIDYL-2'-YL-ETHYNYL)-PHENYL]-ADAMANTANE
Compound Number 11G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H44N4
InChI InChI=1S/C62H44N4/c1-5-51(37-63-33-1)13-9-47-17-25-55(26-18-47)59-41-60(56-27-19-48(20-28-56)10-14-52-6-2-34-64-38-52)44-61(42-59,57-29-21-49(22-30-57)11-15-53-7-3-35-65-39-53)46-62(43-59,45-60)58-31-23-50(24-32-58)12-16-54-8-4-36-66-40-54/h1-8,17-40H,41-46H2/t59-,60+,61-,62+
InChIKey BTKQDSILWATQMY-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 845.058 g/mol
Solvent CDCl3
Source File Reference UWBT20866