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1,3,5,7-TETRAKIS-[4-(PYRIDYL-4'-YL-ETHYNYL)-PHENYL]-ADAMANTANE
SpectraBase Compound ID 4DGGbdsIG0o
InChI InChI=1S/C62H44N4/c1(5-51-25-33-63-34-26-51)47-9-17-55(18-10-47)59-41-60(56-19-11-48(12-20-56)2-6-52-27-35-64-36-28-52)44-61(42-59,57-21-13-49(14-22-57)3-7-53-29-37-65-38-30-53)46-62(43-59,45-60)58-23-15-50(16-24-58)4-8-54-31-39-66-40-32-54/h9-40H,41-46H2/t59-,60+,61-,62+
InChIKey ASOGZCYYHRXUJZ-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 HQRpd0nCI9R
Name 1,3,5,7-TETRAKIS-[4-(PYRIDYL-4'-YL-ETHYNYL)-PHENYL]-ADAMANTANE
Compound Number 11H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H44N4
InChI InChI=1S/C62H44N4/c1(5-51-25-33-63-34-26-51)47-9-17-55(18-10-47)59-41-60(56-19-11-48(12-20-56)2-6-52-27-35-64-36-28-52)44-61(42-59,57-21-13-49(14-22-57)3-7-53-29-37-65-38-30-53)46-62(43-59,45-60)58-23-15-50(16-24-58)4-8-54-31-39-66-40-32-54/h9-40H,41-46H2/t59-,60+,61-,62+
InChIKey ASOGZCYYHRXUJZ-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 UWBT20868