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1,3,5,7-TETRAKIS-[4-[(4'-METHOXYPHENYL)ETHYNYL]-PHENYL]-ADAMANTANE
SpectraBase Compound ID L2I8lkmVAoh
InChI InChI=1S/C70H56O4/c1-71-63-37-21-55(22-38-63)9-5-51-13-29-59(30-14-51)67-45-68(60-31-15-52(16-32-60)6-10-56-23-39-64(72-2)40-24-56)48-69(46-67,61-33-17-53(18-34-61)7-11-57-25-41-65(73-3)42-26-57)50-70(47-67,49-68)62-35-19-54(20-36-62)8-12-58-27-43-66(74-4)44-28-58/h13-44H,45-50H2,1-4H3/t67-,68+,69-,70+
InChIKey DCTYVEAMXQEMEU-NALZEYQFSA-N
Mol Weight 961.2 g/mol
Molecular Formula C70H56O4
Exact Mass 960.41786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CfSSLQYkvTw
Name 1,3,5,7-TETRAKIS-[4-[(4'-METHOXYPHENYL)ETHYNYL]-PHENYL]-ADAMANTANE
Compound Number 11A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C70H56O4
InChI InChI=1S/C70H56O4/c1-71-63-37-21-55(22-38-63)9-5-51-13-29-59(30-14-51)67-45-68(60-31-15-52(16-32-60)6-10-56-23-39-64(72-2)40-24-56)48-69(46-67,61-33-17-53(18-34-61)7-11-57-25-41-65(73-3)42-26-57)50-70(47-67,49-68)62-35-19-54(20-36-62)8-12-58-27-43-66(74-4)44-28-58/h13-44H,45-50H2,1-4H3/t67-,68+,69-,70+
InChIKey DCTYVEAMXQEMEU-NALZEYQFSA-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 961.212 g/mol
Solvent CDCl3
Source File Reference UWBT20856