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TETRAKIS-(2-HYDROXYETHOXY)-PARA-TERT.-OCTYLCALIX-[4]-ARENE

View entire compound with spectra: 1 NMR

TETRAKIS-(2-HYDROXYETHOXY)-PARA-TERT.-OCTYLCALIX-[4]-ARENE
SpectraBase Compound ID AnmqFLPkFOO
InChI InChI=1S/C68H104O8/c1-61(2,3)41-65(13,14)53-33-45-29-47-35-54(66(15,16)42-62(4,5)6)37-49(58(47)74-26-22-70)31-51-39-56(68(19,20)44-64(10,11)12)40-52(60(51)76-28-24-72)32-50-38-55(67(17,18)43-63(7,8)9)36-48(59(50)75-27-23-71)30-46(34-53)57(45)73-25-21-69/h33-40,69-72H,21-32,41-44H2,1-20H3
InChIKey OERZGPRUWTWLKV-UHFFFAOYSA-N
Mol Weight 1049.6 g/mol
Molecular Formula C68H104O8
Exact Mass 1048.77312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9rhB20nUmeT
Name TETRAKIS-(2-HYDROXYETHOXY)-PARA-TERT.-OCTYLCALIX-[4]-ARENE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C68H104O8
InChI InChI=1S/C68H104O8/c1-61(2,3)41-65(13,14)53-33-45-29-47-35-54(66(15,16)42-62(4,5)6)37-49(58(47)74-26-22-70)31-51-39-56(68(19,20)44-64(10,11)12)40-52(60(51)76-28-24-72)32-50-38-55(67(17,18)43-63(7,8)9)36-48(59(50)75-27-23-71)30-46(34-53)57(45)73-25-21-69/h33-40,69-72H,21-32,41-44H2,1-20H3
InChIKey OERZGPRUWTWLKV-UHFFFAOYSA-N
Literature Reference Author S.E.MATTHEWS,P.SCHMITT,V.FELIX,M.G.B.DREW,P.D.BEER
Literature Reference Citation J.AM.CHEM.SOC.,124,1341(2002)
Literature Reference DOI 10.1021/ja011856m
Molecular Weight 1049.569 g/mol
Sample ID 47607
Solvent CDCl3