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5,17,29-TRIS-TERT.-BUTYL-37,39,41-TRIMETHOXY-38,40,42-TRIS-[(2-PYRIDYL)-METHOXY]-CALIX-[6]-ARENE
SpectraBase Compound ID JsqcrC6ECX
InChI InChI=1S/C75H81N3O6/c1-73(2,3)61-40-55-34-49-22-19-24-51(70(49)82-46-64-28-13-16-31-76-64)36-57-42-62(74(4,5)6)44-59(68(57)80-11)38-53-26-21-27-54(72(53)84-48-66-30-15-18-33-78-66)39-60-45-63(75(7,8)9)43-58(69(60)81-12)37-52-25-20-23-50(35-56(41-61)67(55)79-10)71(52)83-47-65-29-14-17-32-77-65/h13-33,40-45H,34-39,46-48H2,1-12H3
InChIKey LNKNPDOYHSVSEI-UHFFFAOYSA-N
Mol Weight 1120.5 g/mol
Molecular Formula C75H81N3O6
Exact Mass 1119.612537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 36RjvXXmHA7
Name 5,17,29-TRIS-TERT.-BUTYL-37,39,41-TRIMETHOXY-38,40,42-TRIS-[(2-PYRIDYL)-METHOXY]-CALIX-[6]-ARENE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C75H81N3O6
InChI InChI=1S/C75H81N3O6/c1-73(2,3)61-40-55-34-49-22-19-24-51(70(49)82-46-64-28-13-16-31-76-64)36-57-42-62(74(4,5)6)44-59(68(57)80-11)38-53-26-21-27-54(72(53)84-48-66-30-15-18-33-78-66)39-60-45-63(75(7,8)9)43-58(69(60)81-12)37-52-25-20-23-50(35-56(41-61)67(55)79-10)71(52)83-47-65-29-14-17-32-77-65/h13-33,40-45H,34-39,46-48H2,1-12H3
InChIKey LNKNPDOYHSVSEI-UHFFFAOYSA-N
Literature Reference Author Y.RONDELEZ,M.N.RAGER,A.DUPRAT,O.REINAUD
Literature Reference Citation J.AM.CHEM.SOC.,124,1334(2002)
Literature Reference DOI 10.1021/ja0161958
Molecular Weight 1120.485 g/mol
Sample ID 47601
Solvent CDCl3