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4-tert-Butylcalix[4]arene

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4-tert-Butylcalix[4]arene
SpectraBase Compound ID Fgwicp8ku5L
InChI InChI=1S/C44H56O4/c1-41(2,3)33-17-25-13-27-19-34(42(4,5)6)21-29(38(27)46)15-31-23-36(44(10,11)12)24-32(40(31)48)16-30-22-35(43(7,8)9)20-28(39(30)47)14-26(18-33)37(25)45/h17-24,45-48H,13-16H2,1-12H3
InChIKey NVKLTRSBZLYZHK-UHFFFAOYSA-N
Mol Weight 648.9 g/mol
Molecular Formula C44H56O4
Exact Mass 648.41786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9fKXGj4Y4KW
Name 5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrahydroxy-calix(4)arene
CAS Registry Number 60705-62-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C44H56O4
InChI InChI=1S/C44H56O4/c1-41(2,3)33-17-25-13-27-19-34(42(4,5)6)21-29(38(27)46)15-31-23-36(44(10,11)12)24-32(40(31)48)16-30-22-35(43(7,8)9)20-28(39(30)47)14-26(18-33)37(25)45/h17-24,45-48H,13-16H2,1-12H3
InChIKey NVKLTRSBZLYZHK-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference C.D. Gutsche, B. Dhawan, K.H.No, J. Am. Chem. Soc. 103, 3782 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3