OCTAETHYL-5,5',5'',5'''-[[ADAMANTANE-1,3,5,7-TETRAYLTETRAKIS-(PHENYLENE-4,1-DIYL)]-TETRAKIS-(ETHYN-2,1-DIYL)]-TETRAISOPHTHALATE

SpectraBase Compound ID	IkK99xRSZBa
InChI	InChI=1S/C90H80O16/c1-9-99-79(91)67-41-63(42-68(49-67)80(92)100-10-2)21-17-59-25-33-75(34-26-59)87-53-88(76-35-27-60(28-36-76)18-22-64-43-69(81(93)101-11-3)50-70(44-64)82(94)102-12-4)56-89(54-87,77-37-29-61(30-38-77)19-23-65-45-71(83(95)103-13-5)51-72(46-65)84(96)104-14-6)58-90(55-87,57-88)78-39-31-62(32-40-78)20-24-66-47-73(85(97)105-15-7)52-74(48-66)86(98)106-16-8/h25-52H,9-16,53-58H2,1-8H3/t87-,88+,89-,90+
InChIKey	GLEGCCRPKTYHPX-VSAMOUAJSA-N Google Search
Mol Weight	1417.6 g/mol
Molecular Formula	C90H80O16
Exact Mass	1416.544636 g/mol

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SpectraBase Spectrum ID	EHC8BHCNlEV
Name	OCTAETHYL-5,5',5'',5'''-[[ADAMANTANE-1,3,5,7-TETRAYLTETRAKIS-(PHENYLENE-4,1-DIYL)]-TETRAKIS-(ETHYN-2,1-DIYL)]-TETRAISOPHTHALATE
Compound Number	11E
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C90H80O16
InChI	InChI=1S/C90H80O16/c1-9-99-79(91)67-41-63(42-68(49-67)80(92)100-10-2)21-17-59-25-33-75(34-26-59)87-53-88(76-35-27-60(28-36-76)18-22-64-43-69(81(93)101-11-3)50-70(44-64)82(94)102-12-4)56-89(54-87,77-37-29-61(30-38-77)19-23-65-45-71(83(95)103-13-5)51-72(46-65)84(96)104-14-6)58-90(55-87,57-88)78-39-31-62(32-40-78)20-24-66-47-73(85(97)105-15-7)52-74(48-66)86(98)106-16-8/h25-52H,9-16,53-58H2,1-8H3/t87-,88+,89-,90+
InChIKey	GLEGCCRPKTYHPX-VSAMOUAJSA-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	1417.616 g/mol
Solvent	CDCl3
Source File Reference	UWBT20862