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CONE-25,26,27,28-TETRAKIS-(DODECYLOXY)-CALIX-[4]-ARENE
SpectraBase Compound ID vwBEfQ4jte
InChI InChI=1S/C76H120O4/c1-5-9-13-17-21-25-29-33-37-41-57-77-73-65-49-45-50-66(73)62-68-52-47-54-70(75(68)79-59-43-39-35-31-27-23-19-15-11-7-3)64-72-56-48-55-71(76(72)80-60-44-40-36-32-28-24-20-16-12-8-4)63-69-53-46-51-67(61-65)74(69)78-58-42-38-34-30-26-22-18-14-10-6-2/h45-56H,5-44,57-64H2,1-4H3
InChIKey MRPDSFMEHWMCJM-UHFFFAOYSA-N
Mol Weight 1097.8 g/mol
Molecular Formula C76H120O4
Exact Mass 1096.918662 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4mNpUi3Ra7p
Name CONE-25,26,27,28-TETRAKIS-(DODECYLOXY)-CALIX-[4]-ARENE
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C76H120O4
InChI InChI=1S/C76H120O4/c1-5-9-13-17-21-25-29-33-37-41-57-77-73-65-49-45-50-66(73)62-68-52-47-54-70(75(68)79-59-43-39-35-31-27-23-19-15-11-7-3)64-72-56-48-55-71(76(72)80-60-44-40-36-32-28-24-20-16-12-8-4)63-69-53-46-51-67(61-65)74(69)78-58-42-38-34-30-26-22-18-14-10-6-2/h45-56H,5-44,57-64H2,1-4H3
InChIKey MRPDSFMEHWMCJM-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 1097.786 g/mol
Sample ID 44230
Solvent CDCl3