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CONE-25,26,27,28-TETRAKIS-(DODECYLOXY)-5,11,17,23-TETRAIODOCALIX-[4]-ARENE
SpectraBase Compound ID 1klBpAr5auc
InChI InChI=1S/C76H116I4O4/c1-5-9-13-17-21-25-29-33-37-41-45-81-73-61-49-63-55-70(78)57-65(74(63)82-46-42-38-34-30-26-22-18-14-10-6-2)51-67-59-72(80)60-68(76(67)84-48-44-40-36-32-28-24-20-16-12-8-4)52-66-58-71(79)56-64(50-62(73)54-69(77)53-61)75(66)83-47-43-39-35-31-27-23-19-15-11-7-3/h53-60H,5-52H2,1-4H3
InChIKey ZJFNYKKWOYETDN-UHFFFAOYSA-N
Mol Weight 1601.4 g/mol
Molecular Formula C76H116I4O4
Exact Mass 1600.505242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KLvSaBMrcu4
Name CONE-25,26,27,28-TETRAKIS-(DODECYLOXY)-5,11,17,23-TETRAIODOCALIX-[4]-ARENE
Compound Number 12D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C76H116I4O4
InChI InChI=1S/C76H116I4O4/c1-5-9-13-17-21-25-29-33-37-41-45-81-73-61-49-63-55-70(78)57-65(74(63)82-46-42-38-34-30-26-22-18-14-10-6-2)51-67-59-72(80)60-68(76(67)84-48-44-40-36-32-28-24-20-16-12-8-4)52-66-58-71(79)56-64(50-62(73)54-69(77)53-61)75(66)83-47-43-39-35-31-27-23-19-15-11-7-3/h53-60H,5-52H2,1-4H3
InChIKey ZJFNYKKWOYETDN-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 1601.373 g/mol
Sample ID 44232
Solvent CDCl3