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4-tert-Butylcalix[4]arenetetraacetic acid tetraethyl ester

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4-tert-Butylcalix[4]arenetetraacetic acid tetraethyl ester
SpectraBase Compound ID KF85Z4sSHgC
InChI InChI=1S/C60H80O12/c1-17-65-49(61)33-69-53-37-21-39-27-46(58(8,9)10)29-41(54(39)70-34-50(62)66-18-2)23-43-31-48(60(14,15)16)32-44(56(43)72-36-52(64)68-20-4)24-42-30-47(59(11,12)13)28-40(55(42)71-35-51(63)67-19-3)22-38(53)26-45(25-37)57(5,6)7/h25-32H,17-24,33-36H2,1-16H3
InChIKey HZHADWCIBZZJNV-UHFFFAOYSA-N
Mol Weight 993.3 g/mol
Molecular Formula C60H80O12
Exact Mass 992.564978 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KPb24tCNioa
Name 5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrakis(ethoxycarbonylmethoxy)calix(4)arene
Comments HITACHI R-90H SPECTROMETER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C60H80O12
InChI InChI=1S/C60H80O12/c1-17-65-49(61)33-69-53-37-21-39-27-46(58(8,9)10)29-41(54(39)70-34-50(62)66-18-2)23-43-31-48(60(14,15)16)32-44(56(43)72-36-52(64)68-20-4)24-42-30-47(59(11,12)13)28-40(55(42)71-35-51(63)67-19-3)22-38(53)26-45(25-37)57(5,6)7/h25-32H,17-24,33-36H2,1-16H3
InChIKey HZHADWCIBZZJNV-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference A. Yamada, T. Murase, S. Shinkai, J. Chem. Soc. Perkin II 793 (1991).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent THF-D8