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1,3,5,7-TETRAKIS-[4-(PYRIDYL-2'-YL-ETHYNYL)-PHENYL]-ADAMANTANE
SpectraBase Compound ID JninbehSCkd
InChI InChI=1S/C62H44N4/c1-5-37-63-55(9-1)33-21-47-13-25-51(26-14-47)59-41-60(52-27-15-48(16-28-52)22-34-56-10-2-6-38-64-56)44-61(42-59,53-29-17-49(18-30-53)23-35-57-11-3-7-39-65-57)46-62(43-59,45-60)54-31-19-50(20-32-54)24-36-58-12-4-8-40-66-58/h1-20,25-32,37-40H,41-46H2/t59-,60+,61-,62+
InChIKey KFQFPJDBOKNRIT-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 4HG9j1ZvarG
Name 1,3,5,7-TETRAKIS-[4-(PYRIDYL-2'-YL-ETHYNYL)-PHENYL]-ADAMANTANE
Compound Number 11F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H44N4
InChI InChI=1S/C62H44N4/c1-5-37-63-55(9-1)33-21-47-13-25-51(26-14-47)59-41-60(52-27-15-48(16-28-52)22-34-56-10-2-6-38-64-56)44-61(42-59,53-29-17-49(18-30-53)23-35-57-11-3-7-39-65-57)46-62(43-59,45-60)54-31-19-50(20-32-54)24-36-58-12-4-8-40-66-58/h1-20,25-32,37-40H,41-46H2/t59-,60+,61-,62+
InChIKey KFQFPJDBOKNRIT-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 UWBT20864