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5,11,17,23,29,35-Hexa(t-butyl)-37,40 : 38,41-bis(methylenedioxy)-39,42-[(2',6'-(4'-Methoxypyridine)iyl)-bis(methyleneoxy)]calix[6]arene
SpectraBase Compound ID BzZobqiK6uh
InChI InChI=1S/C76H91NO7/c1-71(2,3)56-26-44-20-48-30-58(73(7,8)9)34-52-24-54-36-60(75(13,14)15)32-50-22-46-28-57(72(4,5)6)29-47-23-51-33-61(76(16,17)18)37-55(70(51)83-42-81-67(48)52)25-53-35-59(74(10,11)12)31-49(68(53)82-43-84-69(50)54)21-45(27-56)65(44)79-40-62-38-64(78-19)39-63(77-62)41-80-66(46)47/h26-39H,20-25,40-43H2,1-19H3
InChIKey BACOFAHGFPLHRP-UHFFFAOYSA-N
Mol Weight 1130.6 g/mol
Molecular Formula C76H91NO7
Exact Mass 1129.679554 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYb7ejrTDFD
Name 5,11,17,23,29,35-Hexa(t-butyl)-37,40 : 38,41-bis(methylenedioxy)-39,42-[(2',6'-(4'-Methoxypyridine)iyl)-bis(methyleneoxy)]calix[6]arene
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Formula C76H91NO7
InChI InChI=1S/C76H91NO7/c1-71(2,3)56-26-44-20-48-30-58(73(7,8)9)34-52-24-54-36-60(75(13,14)15)32-50-22-46-28-57(72(4,5)6)29-47-23-51-33-61(76(16,17)18)37-55(70(51)83-42-81-67(48)52)25-53-35-59(74(10,11)12)31-49(68(53)82-43-84-69(50)54)21-45(27-56)65(44)79-40-62-38-64(78-19)39-63(77-62)41-80-66(46)47/h26-39H,20-25,40-43H2,1-19H3
InChIKey BACOFAHGFPLHRP-UHFFFAOYSA-N
Molecular Weight 1130.564 g/mol
SMILES c12c3c(Cc4c5c(Cc6cc(C(C)(C)C)cc7c6OCOc6c(Cc8c(c(Cc9c(c(cc(c9)C(C)(C)C)C7)OCc7nc(CO3)cc(c7)OC)cc(c8)C(C)(C)C)OCO5)cc(cc6C1)C(C)(C)C)cc(c4)C(C)(C)C)cc(c2)C(C)(C)C
SPLASH splash10-001i-0900000000-eede215c13bd0137fe41
Source of Spectrum U-1996-1372-6
Wiley ID 768821