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CONE-5,11,17,23-TETRAKIS-[(2-PHENYL)-PHENYL]-25,26,27,28-TETRAKIS-(PROPYLOXY)-CALIX-[4]-ARENE
SpectraBase Compound ID 5mEWu4555ks
InChI InChI=1S/C88H80O4/c1-5-45-89-85-69-49-65(81-41-25-21-37-77(81)61-29-13-9-14-30-61)50-70(85)58-72-52-67(83-43-27-23-39-79(83)63-33-17-11-18-34-63)54-74(87(72)91-47-7-3)60-76-56-68(84-44-28-24-40-80(84)64-35-19-12-20-36-64)55-75(88(76)92-48-8-4)59-73-53-66(51-71(57-69)86(73)90-46-6-2)82-42-26-22-38-78(82)62-31-15-10-16-32-62/h9-44,49-56H,5-8,45-48,57-60H2,1-4H3
InChIKey PGDBLHWXAHMOEM-UHFFFAOYSA-N
Mol Weight 1201.6 g/mol
Molecular Formula C88H80O4
Exact Mass 1200.605661 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 74eKdDLInEZ
Name CONE-5,11,17,23-TETRAKIS-[(2-PHENYL)-PHENYL]-25,26,27,28-TETRAKIS-(PROPYLOXY)-CALIX-[4]-ARENE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C88H80O4
InChI InChI=1S/C88H80O4/c1-5-45-89-85-69-49-65(81-41-25-21-37-77(81)61-29-13-9-14-30-61)50-70(85)58-72-52-67(83-43-27-23-39-79(83)63-33-17-11-18-34-63)54-74(87(72)91-47-7-3)60-76-56-68(84-44-28-24-40-80(84)64-35-19-12-20-36-64)55-75(88(76)92-48-8-4)59-73-53-66(51-71(57-69)86(73)90-46-6-2)82-42-26-22-38-78(82)62-31-15-10-16-32-62/h9-44,49-56H,5-8,45-48,57-60H2,1-4H3
InChIKey PGDBLHWXAHMOEM-UHFFFAOYSA-N
Literature Reference Author M.MASTALERZ,G.DYKER,U.FLOERKE,G.HENKEL,I.O.OPPEL,K.MERZ
Literature Reference Citation EUR.J.ORG.CHEM.,4951(2006)
Molecular Weight 1201.601 g/mol
Sample ID 44233
Solvent CDCl3