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TETRAKIS-[(1,1'-BIPHENYL)-4-YL]-ADAMANTANE

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TETRAKIS-[(1,1'-BIPHENYL)-4-YL]-ADAMANTANE
SpectraBase Compound ID 3LA9itxdhgj
InChI InChI=1S/C58H48/c1-5-13-43(14-6-1)47-21-29-51(30-22-47)55-37-56(52-31-23-48(24-32-52)44-15-7-2-8-16-44)40-57(38-55,53-33-25-49(26-34-53)45-17-9-3-10-18-45)42-58(39-55,41-56)54-35-27-50(28-36-54)46-19-11-4-12-20-46/h1-36H,37-42H2/t55-,56+,57-,58+
InChIKey JPPJMJHOPWMADD-DDMMZKBGSA-N
Mol Weight 745.0 g/mol
Molecular Formula C58H48
Exact Mass 744.375602 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BNxJZC6cP24
Name TETRAKIS-[(1,1'-BIPHENYL)-4-YL]-ADAMANTANE
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H48
InChI InChI=1S/C58H48/c1-5-13-43(14-6-1)47-21-29-51(30-22-47)55-37-56(52-31-23-48(24-32-52)44-15-7-2-8-16-44)40-57(38-55,53-33-25-49(26-34-53)45-17-9-3-10-18-45)42-58(39-55,41-56)54-35-27-50(28-36-54)46-19-11-4-12-20-46/h1-36H,37-42H2/t55-,56+,57-,58+
InChIKey JPPJMJHOPWMADD-DDMMZKBGSA-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 745.019 g/mol
Solvent CDCl3
Source File Reference UWBT20844