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#5;5,11,17,23,29,35-HEXA-TERT.-BUTYL-39,42-DIHYDROXY-38,41-BIS-[(4-METHYLBENZYL)-OXY]-37,40-[1,10-PHENANTHROLINE-2,9-DIYLBIS-(METHYLENEOXY)]-CALIX-[6]-A
SpectraBase Compound ID 1sH5We2loy8
InChI InChI=1S/C96H108N2O6/c1-57-21-25-59(26-22-57)53-101-87-67-35-63-41-75(91(3,4)5)43-65(85(63)99)37-70-48-80(96(18,19)20)52-74-40-72-50-78(94(12,13)14)46-68(88(72)102-54-60-27-23-58(2)24-28-60)36-64-42-76(92(6,7)8)44-66(86(64)100)38-69-47-79(95(15,16)17)51-73(39-71(87)49-77(45-67)93(9,10)11)89(69)103-55-81-33-31-61-29-30-62-32-34-82(56-104-90(70)74)98-84(62)83(61)97-81/h21-34,41-52,99-100H,35-40,53-56H2,1-20H3
InChIKey NKFIJUSPOGWPMG-UHFFFAOYSA-N
Mol Weight 1385.9 g/mol
Molecular Formula C96H108N2O6
Exact Mass 1384.820739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FoE76BXGYd1
Name #5;5,11,17,23,29,35-HEXA-TERT.-BUTYL-39,42-DIHYDROXY-38,41-BIS-[(4-METHYLBENZYL)-OXY]-37,40-[1,10-PHENANTHROLINE-2,9-DIYLBIS-(METHYLENEOXY)]-CALIX-[6]-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C96H108N2O6
InChI InChI=1S/C96H108N2O6/c1-57-21-25-59(26-22-57)53-101-87-67-35-63-41-75(91(3,4)5)43-65(85(63)99)37-70-48-80(96(18,19)20)52-74-40-72-50-78(94(12,13)14)46-68(88(72)102-54-60-27-23-58(2)24-28-60)36-64-42-76(92(6,7)8)44-66(86(64)100)38-69-47-79(95(15,16)17)51-73(39-71(87)49-77(45-67)93(9,10)11)89(69)103-55-81-33-31-61-29-30-62-32-34-82(56-104-90(70)74)98-84(62)83(61)97-81/h21-34,41-52,99-100H,35-40,53-56H2,1-20H3
InChIKey NKFIJUSPOGWPMG-UHFFFAOYSA-N
Literature Reference Author S.KONRAD,M.BOLTE,C.NAETHER,U.LUENING
Literature Reference Citation EUR.J.ORG.CHEM.,4717(2006)
Molecular Weight 1385.923 g/mol
Sample ID 32636
Solvent C2D2Cl4