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OCTAETHYL-5,5',5'',5'''-[[METHANETETRAYL-TETRAKIS-(PHENYLENE-4,1-DIYL)]-TETRAKIS-(ETHYNE-2,1-DIYL)]-TETRAISOPHTHALATE
SpectraBase Compound ID DQYRqV45NVh
InChI InChI=1S/C81H68O16/c1-9-90-73(82)61-41-57(42-62(49-61)74(83)91-10-2)21-17-53-25-33-69(34-26-53)81(70-35-27-54(28-36-70)18-22-58-43-63(75(84)92-11-3)50-64(44-58)76(85)93-12-4,71-37-29-55(30-38-71)19-23-59-45-65(77(86)94-13-5)51-66(46-59)78(87)95-14-6)72-39-31-56(32-40-72)20-24-60-47-67(79(88)96-15-7)52-68(48-60)80(89)97-16-8/h25-52H,9-16H2,1-8H3
InChIKey CJGTVAAODURXQL-UHFFFAOYSA-N
Mol Weight 1297.4 g/mol
Molecular Formula C81H68O16
Exact Mass 1296.450736 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Dios4FpWLz
Name OCTAETHYL-5,5',5'',5'''-[[METHANETETRAYL-TETRAKIS-(PHENYLENE-4,1-DIYL)]-TETRAKIS-(ETHYNE-2,1-DIYL)]-TETRAISOPHTHALATE
Compound Number 10E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C81H68O16
InChI InChI=1S/C81H68O16/c1-9-90-73(82)61-41-57(42-62(49-61)74(83)91-10-2)21-17-53-25-33-69(34-26-53)81(70-35-27-54(28-36-70)18-22-58-43-63(75(84)92-11-3)50-64(44-58)76(85)93-12-4,71-37-29-55(30-38-71)19-23-59-45-65(77(86)94-13-5)51-66(46-59)78(87)95-14-6)72-39-31-56(32-40-72)20-24-60-47-67(79(88)96-15-7)52-68(48-60)80(89)97-16-8/h25-52H,9-16H2,1-8H3
InChIKey CJGTVAAODURXQL-UHFFFAOYSA-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 1297.421 g/mol
Solvent CDCl3
Source File Reference UWBT20861