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5,17-BIS-[(3-ISOPROPYLIMIDAZOLIUM-1-YL)-METHYL]-11,23-BIS-(METHOXYMETHYL)-25,26,27,28-TETRAPROPOXYCALIX-[4]-ARENE-DICHLORIDE

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5,17-BIS-[(3-ISOPROPYLIMIDAZOLIUM-1-YL)-METHYL]-11,23-BIS-(METHOXYMETHYL)-25,26,27,28-TETRAPROPOXYCALIX-[4]-ARENE-DICHLORIDE
SpectraBase Compound ID 9vZ8ItUDAYN
InChI InChI=1S/C58H78N4O6.2ClH/c1-11-19-65-55-47-23-43(35-59-15-17-61(39-59)41(5)6)24-48(55)32-52-28-46(38-64-10)30-54(58(52)68-22-14-4)34-50-26-44(36-60-16-18-62(40-60)42(7)8)25-49(56(50)66-20-12-2)33-53-29-45(37-63-9)27-51(31-47)57(53)67-21-13-3;;/h15-18,23-30,39-42H,11-14,19-22,31-38H2,1-10H3;2*1H/q+2;;/p-2
InChIKey RFJMWPLXNUFNKO-UHFFFAOYSA-L
Mol Weight 998.2 g/mol
Molecular Formula C58H78Cl2N4O6
Exact Mass 996.529842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AN5aFf5fOlK
Name 5,17-BIS-[(3-ISOPROPYLIMIDAZOLIUM-1-YL)-METHYL]-11,23-BIS-(METHOXYMETHYL)-25,26,27,28-TETRAPROPOXYCALIX-[4]-ARENE-DICHLORIDE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H78Cl2N4O6
InChI InChI=1S/C58H78N4O6.2ClH/c1-11-19-65-55-47-23-43(35-59-15-17-61(39-59)41(5)6)24-48(55)32-52-28-46(38-64-10)30-54(58(52)68-22-14-4)34-50-26-44(36-60-16-18-62(40-60)42(7)8)25-49(56(50)66-20-12-2)33-53-29-45(37-63-9)27-51(31-47)57(53)67-21-13-3;;/h15-18,23-30,39-42H,11-14,19-22,31-38H2,1-10H3;2*1H/q+2;;/p-2
InChIKey RFJMWPLXNUFNKO-UHFFFAOYSA-L
Literature Reference Author T.BRENDGEN,M.FRANK,J.SCHATZ
Literature Reference Citation EUR.J.ORG.CHEM.,2378(2006)
Molecular Weight 998.187 g/mol
Sample ID 33044
Solvent CDCl3