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5,11,17,23-TETRAAMINO-25,27-BIS-(2-ETHOXYETHOXY)-26,28-BIS-(2-(2-(2-(2-(ADAMANTYL-1-OXY)-ETHOXY)-ETHOXY)-ETHOXY)-ETHOXY)-CALIX-[4]-ARENE
SpectraBase Compound ID 33J8HQaryUm
InChI InChI=1S/C72H104N4O14/c1-3-77-13-19-85-67-55-31-59-39-65(75)41-61(69(59)87-21-15-81-9-5-79-7-11-83-17-23-89-71-43-49-25-50(44-71)27-51(26-49)45-71)33-57-37-64(74)38-58(68(57)86-20-14-78-4-2)34-62-42-66(76)40-60(32-56(67)36-63(73)35-55)70(62)88-22-16-82-10-6-80-8-12-84-18-24-90-72-46-52-28-53(47-72)30-54(29-52)48-72/h35-42,49-54H,3-34,43-48,73-76H2,1-2H3/t49-,50+,51-,52?,53?,54?,71-,72?
InChIKey MNTJJDKBWKIYNO-ACCZYKSRSA-N
Mol Weight 1249.6 g/mol
Molecular Formula C72H104N4O14
Exact Mass 1248.754904 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID dQvOgl89wB
Name 5,11,17,23-TETRAAMINO-25,27-BIS-(2-ETHOXYETHOXY)-26,28-BIS-(2-(2-(2-(2-(ADAMANTYL-1-OXY)-ETHOXY)-ETHOXY)-ETHOXY)-ETHOXY)-CALIX-[4]-ARENE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C72H104N4O14
InChI InChI=1S/C72H104N4O14/c1-3-77-13-19-85-67-55-31-59-39-65(75)41-61(69(59)87-21-15-81-9-5-79-7-11-83-17-23-89-71-43-49-25-50(44-71)27-51(26-49)45-71)33-57-37-64(74)38-58(68(57)86-20-14-78-4-2)34-62-42-66(76)40-60(32-56(67)36-63(73)35-55)70(62)88-22-16-82-10-6-80-8-12-84-18-24-90-72-46-52-28-53(47-72)30-54(29-52)48-72/h35-42,49-54H,3-34,43-48,73-76H2,1-2H3/t49-,50+,51-,52?,53?,54?,71-,72?
InChIKey MNTJJDKBWKIYNO-ACCZYKSRSA-N
Literature Reference Author A.MULDER,T.AULETTA,A.SARTORI,S.DELCIOTTO,A.CASNATI,R.UNGARO, J.HUSKENS,D.N.REINHO
Literature Reference Citation J.AM.CHEM.SOC.,126,6627(2004)
Literature Reference DOI 10.1021/ja0317168
Molecular Weight 1249.636 g/mol
Solvent CDCl3
Source File Reference UWMZ24510