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(PARTIAL-CONE)-5,11,17,23-TETRA-(TERT.-BUTYL)-26,28-BIS-[N-HYDROXY-N-(1-PYRENYLMETHYL)-AMINOCARBONYLMETHOXY]-25,27-DIMETHOXYCALIX-[4]-ARENE
SpectraBase Compound ID Gy9J2eJFW2U
InChI InChI=1S/C84H86N2O8/c1-81(2,3)65-37-57-33-61-41-67(83(7,8)9)43-63(79(61)93-47-71(87)85(89)45-55-27-25-53-23-21-49-17-15-19-51-29-31-69(55)75(53)73(49)51)35-59-39-66(82(4,5)6)40-60(78(59)92-14)36-64-44-68(84(10,11)12)42-62(34-58(38-65)77(57)91-13)80(64)94-48-72(88)86(90)46-56-28-26-54-24-22-50-18-16-20-52-30-32-70(56)76(54)74(50)52/h15-32,37-44,89-90H,33-36,45-48H2,1-14H3
InChIKey ZEDNAAMWULRTKI-UHFFFAOYSA-N
Mol Weight 1251.6 g/mol
Molecular Formula C84H86N2O8
Exact Mass 1250.638418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A8CFp9DfP13
Name (PARTIAL-CONE)-5,11,17,23-TETRA-(TERT.-BUTYL)-26,28-BIS-[N-HYDROXY-N-(1-PYRENYLMETHYL)-AMINOCARBONYLMETHOXY]-25,27-DIMETHOXYCALIX-[4]-ARENE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C84H84N2O8
InChI InChI=1S/C84H86N2O8/c1-81(2,3)65-37-57-33-61-41-67(83(7,8)9)43-63(79(61)93-47-71(87)85(89)45-55-27-25-53-23-21-49-17-15-19-51-29-31-69(55)75(53)73(49)51)35-59-39-66(82(4,5)6)40-60(78(59)92-14)36-64-44-68(84(10,11)12)42-62(34-58(38-65)77(57)91-13)80(64)94-48-72(88)86(90)46-56-28-26-54-24-22-50-18-16-20-52-30-32-70(56)76(54)74(50)52/h15-32,37-44,89-90H,33-36,45-48H2,1-14H3
InChIKey ZEDNAAMWULRTKI-UHFFFAOYSA-N
Literature Reference Author B.BODENANT,T.WEIL,M.BUSINELLI-POURCEL,F.FAGES,B.BARBE,I.PIAN ET,M.LAGUERRE
Literature Reference Citation J.ORG.CHEM.,64,7034(1999)
Literature Reference DOI 10.1021/jo9904720
Molecular Weight 1249.600 g/mol
Sample ID 59463
Solvent CDCl3