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

SpectraBase Compound ID	6I3XysaFomq
InChI	InChI=1S/C64H52N4O12S4/c1-41-5-13-57(14-6-41)81(69,70)77-61-49-29-45(21-25-65)30-50(61)38-52-32-47(23-27-67)34-54(63(52)79-83(73,74)59-17-9-43(3)10-18-59)40-56-36-48(24-28-68)35-55(64(56)80-84(75,76)60-19-11-44(4)12-20-60)39-53-33-46(22-26-66)31-51(37-49)62(53)78-82(71,72)58-15-7-42(2)8-16-58/h5-20,29-36H,21-24,37-40H2,1-4H3
InChIKey	ODNYDSBMJYFIDL-UHFFFAOYSA-N Google Search
Mol Weight	1197.4 g/mol
Molecular Formula	C64H52N4O12S4
Exact Mass	1196.246458 g/mol

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SpectraBase Spectrum ID	LmCc3zJkW76
Name	5,11,17,23-Tetrakis(cyanomethyl)-25,26,27,28-tetrakis([4-tolylsulfonyl]-oxy)-calix(4)arene
Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C64H52N4O12S4
InChI	InChI=1S/C64H52N4O12S4/c1-41-5-13-57(14-6-41)81(69,70)77-61-49-29-45(21-25-65)30-50(61)38-52-32-47(23-27-67)34-54(63(52)79-83(73,74)59-17-9-43(3)10-18-59)40-56-36-48(24-28-68)35-55(64(56)80-84(75,76)60-19-11-44(4)12-20-60)39-53-33-46(22-26-66)31-51(37-49)62(53)78-82(71,72)58-15-7-42(2)8-16-58/h5-20,29-36H,21-24,37-40H2,1-4H3
InChIKey	ODNYDSBMJYFIDL-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