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 Google Search
Mol Weight	648.9 g/mol
Molecular Formula	C44H56O4
Exact Mass	648.41786 g/mol

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SpectraBase Spectrum ID	477HPhHknpo
Name	4-tert-BUTYLCALIX[4]AREN
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
Molecular Weight	648.4164
SMILES	Oc1c2cc(cc1Cc1cc(cc(Cc3cc(cc(Cc4c(O)c(C2)cc(C(C)(C)C)c4)c3O)C(C)(C)C)c1O)C(C)(C)C)C(C)(C)C
SPLASH	splash10-0002-0100049000-96185296289a9b7c69b9
Source of Spectrum	Chemical Concepts, A Wiley Division, Weinheim, Germany