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

SpectraBase Compound ID	DW3iciXQLso
InChI	InChI=1S/C60H40Br4N4O12S4/c61-49-1-9-53(10-2-49)81(69,70)77-57-41-25-37(17-21-65)26-42(57)34-44-28-39(19-23-67)30-46(59(44)79-83(73,74)55-13-5-51(63)6-14-55)36-48-32-40(20-24-68)31-47(60(48)80-84(75,76)56-15-7-52(64)8-16-56)35-45-29-38(18-22-66)27-43(33-41)58(45)78-82(71,72)54-11-3-50(62)4-12-54/h1-16,25-32H,17-20,33-36H2
InChIKey	YRUXOHFBBKKQGB-UHFFFAOYSA-N Google Search
Mol Weight	1456.9 g/mol
Molecular Formula	C60H40Br4N4O12S4
Exact Mass	1451.825909 g/mol

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SpectraBase Spectrum ID	3u9MsAETERU
Name	5,11,17,23-Tetrakis(cyanomethyl)-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	C60H40Br4N4O12S4
InChI	InChI=1S/C60H40Br4N4O12S4/c61-49-1-9-53(10-2-49)81(69,70)77-57-41-25-37(17-21-65)26-42(57)34-44-28-39(19-23-67)30-46(59(44)79-83(73,74)55-13-5-51(63)6-14-55)36-48-32-40(20-24-68)31-47(60(48)80-84(75,76)56-15-7-52(64)8-16-56)35-45-29-38(18-22-66)27-43(33-41)58(45)78-82(71,72)54-11-3-50(62)4-12-54/h1-16,25-32H,17-20,33-36H2
InChIKey	YRUXOHFBBKKQGB-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