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#3C;5,8,13,16,28,31,36,39,51,54,59,62-DODECAMETHYL-2,19,25,42,48,65-HEXAOXO-3,7,14,18,26,30,37,41,49,53,60,64,71,74,78,81,85,88-OCTADECAOXATRIADECACYCLO-[64.3.

Compound with spectra: 1 NMR

#3C;5,8,13,16,28,31,36,39,51,54,59,62-DODECAMETHYL-2,19,25,42,48,65-HEXAOXO-3,7,14,18,26,30,37,41,49,53,60,64,71,74,78,81,85,88-OCTADECAOXATRIADECACYCLO-[64.3.
SpectraBase Compound ID FKWINyQ0kH3
InChI InChI=1S/C84H96O24/c1-73-37-91-67(85)55-16-13-17-56(34-55)68(86)92-38-74(2)47-101-81(9,102-48-74)63-26-28-64(29-27-63)82(10)103-49-77(5,50-104-82)41-95-71(89)59-20-15-21-60(36-59)72(90)96-42-78(6)53-107-84(12,108-54-78)66-32-30-65(31-33-66)83(11)105-51-76(4,52-106-83)40-94-70(88)58-19-14-18-57(35-58)69(87)93-39-75(3)45-99-80(8,100-46-75)62-24-22-61(23-25-62)79(7,97-43-73)98-44-73/h13-36H,37-54H2,1-12H3/t73-,74-,75-,76-,77-,78-,79+,80+,81+,82+,83+,84+
InChIKey ZIQRYWLHCGLBMF-KPXZJOKBSA-N
Mol Weight 1489.7 g/mol
Molecular Formula C84H96O24
Exact Mass 1488.629154 g/mol

View Spectrum of #3C;5,8,13,16,28,31,36,39,51,54,59,62-DODECAMETHYL-2,19,25,42,48,65-HEXAOXO-3,7,14,18,26,30,37,41,49,53,60,64,71,74,78,81,85,88-OCTADECAOXATRIADECACYCLO-[64.3.

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
#3B;5,8,13,16,28,31,36,39-OCTAMETHYL-2,19,25,42-TETRAOXO-3,7,14,18,26,30,37,41,48,51,55,58-DODECAOXANONA-CYCLO-[41.3.2-(5,8).2-(9,12).2-(13,16).2-(28,31).2-(32
5,8,13,16-Tetramethyl-2,19-dioxo-3,7,14,18,25,28-hexaoxapentacyclo[18.3.2(5,8).2(9,12).2(13,16).2(1,20)]triaconta-1(30),9,11,20,22,26-hexaene
#3A;5,8,13,16-TETRAMETHYL-2,19-DIOXO-3,7,14,18,25,28-HEXAOXAPENTACYCLO-[18.3.2-(5,8).2-(9,12).2-(13,16).2-(1,20)]-TRIACONTA-1(30),9,11,20,22,26-HEXAENE
2-METHYL-2-(PARA-ACETYLPHENYL)-5,5-DIETHYLOXYCARBONYL-1,3-DIOXANE
1,3-Dioxane, 5-[[[3,4-dihydro-5-(1,3,3-trimethylbutyl)-2H-pyran-2-yl]oxy]methyl]-5-ethyl-2-methyl-2-phenyl-
Isophthalic acid bisphenol a monoester, end-groups blocked with tert-butyl and benzyl groups
5-Isobenzofurancarboxylic acid, 1,3-dihydro-3-oxo-, nonyl ester
Bis(2-isopropyl-5-methylcyclohexyl) isophthalate
Cathinone precursor 1b TMS
2-(4-Methoxyphenyl)-2-(2,2,2-trifluoroethoxy)-3,3-dimethyloxetane
Title Journal or Book Year
Design and Synthesis of New Macrocyclic Cyclophanes Using 1,3-Dioxane Units as Bridges:  A Molecular “Rocking Chair” The Journal of Organic Chemistry 2004
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