5,11,17,23-Tetrakis(N-piperidino-methyl)-25,26,27,28-tetrakis([4-bromo-phenylsulfonyl]-oxy)-calix(4)arene

SpectraBase Compound ID	AEkCOJyC8AF
InChI	InChI=1S/C76H84N4O12S4/c81-93(82,69-25-9-1-10-26-69)89-73-61-41-57(53-77-33-17-5-18-34-77)42-62(73)50-64-44-59(55-79-37-21-7-22-38-79)46-66(75(64)91-95(85,86)71-29-13-3-14-30-71)52-68-48-60(56-80-39-23-8-24-40-80)47-67(76(68)92-96(87,88)72-31-15-4-16-32-72)51-65-45-58(54-78-35-19-6-20-36-78)43-63(49-61)74(65)90-94(83,84)70-27-11-2-12-28-70/h1-4,9-16,25-32,41-48H,5-8,17-24,33-40,49-56H2
InChIKey	ZKIRIHPCGRAFCX-UHFFFAOYSA-N Google Search
Mol Weight	1373.8 g/mol
Molecular Formula	C76H84N4O12S4
Exact Mass	1372.496859 g/mol

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SpectraBase Spectrum ID	49x7OIBWOg7
Name	5,11,17,23-Tetrakis(N-piperidino-methyl)-25,26,27,28-tetrakis([4-bromo-phenylsulfonyl]-oxy)-calix(4)arene
Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C76H84N4O12S4
InChI	InChI=1S/C76H84N4O12S4/c81-93(82,69-25-9-1-10-26-69)89-73-61-41-57(53-77-33-17-5-18-34-77)42-62(73)50-64-44-59(55-79-37-21-7-22-38-79)46-66(75(64)91-95(85,86)71-29-13-3-14-30-71)52-68-48-60(56-80-39-23-8-24-40-80)47-67(76(68)92-96(87,88)72-31-15-4-16-32-72)51-65-45-58(54-78-35-19-6-20-36-78)43-63(49-61)74(65)90-94(83,84)70-27-11-2-12-28-70/h1-4,9-16,25-32,41-48H,5-8,17-24,33-40,49-56H2
InChIKey	ZKIRIHPCGRAFCX-UHFFFAOYSA-N
Instrument Name	Varian XL-300
Literature Reference	C.D. Gutsche, K.C.Nam, J. Am. Chem. Soc. 110, 6153 (1988).
NMR Standard	TMS
Origin	Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent	CDCl3