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5,11,17,23,29,35-HEXABENZYLOXY-37,38,39,40,41,42-HEXAMETHOXYCALIX-[6]-ARENE
SpectraBase Compound ID 8GzMDCxkhhf
InChI InChI=1S/C90H84O12/c1-91-85-67-37-69-45-80(98-56-62-27-15-8-16-28-62)47-71(86(69)92-2)39-73-49-82(100-58-64-31-19-10-20-32-64)51-75(88(73)94-4)41-77-53-84(102-60-66-35-23-12-24-36-66)54-78(90(77)96-6)42-76-52-83(101-59-65-33-21-11-22-34-65)50-74(89(76)95-5)40-72-48-81(99-57-63-29-17-9-18-30-63)46-70(87(72)93-3)38-68(85)44-79(43-67)97-55-61-25-13-7-14-26-61/h7-36,43-54H,37-42,55-60H2,1-6H3
InChIKey WMIISLPISQDKHB-UHFFFAOYSA-N
Mol Weight 1357.6 g/mol
Molecular Formula C90H84O12
Exact Mass 1356.596278 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5yuFU1TgjwB
Name 5,11,17,23,29,35-HEXABENZYLOXY-37,38,39,40,41,42-HEXAMETHOXYCALIX-[6]-ARENE
Compound Number 10(6)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C90H84O12
InChI InChI=1S/C90H84O12/c1-91-85-67-37-69-45-80(98-56-62-27-15-8-16-28-62)47-71(86(69)92-2)39-73-49-82(100-58-64-31-19-10-20-32-64)51-75(88(73)94-4)41-77-53-84(102-60-66-35-23-12-24-36-66)54-78(90(77)96-6)42-76-52-83(101-59-65-33-21-11-22-34-65)50-74(89(76)95-5)40-72-48-81(99-57-63-29-17-9-18-30-63)46-70(87(72)93-3)38-68(85)44-79(43-67)97-55-61-25-13-7-14-26-61/h7-36,43-54H,37-42,55-60H2,1-6H3
InChIKey WMIISLPISQDKHB-UHFFFAOYSA-N
Literature Reference Author A.CASNATI,S.BARBOSO,H.ROUQUETTE,M.J.SCHWING-WEILL,F.ARNAUD-N EU,J.F.DOZOL,R.UNGAR
Literature Reference Citation J.AM.CHEM.SOC.,123,12182(2001)
Literature Reference DOI 10.1021/ja016597f
Molecular Weight 1357.650 g/mol
Solvent CDCl3
Source File Reference UWSI24129