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1,4,7,13,16,19-Hexakis(4-tolyl-sulfonyl)-1,4,7,13,16,19-hexaaza-cyclotetracosane

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1,4,7,13,16,19-Hexakis(4-tolyl-sulfonyl)-1,4,7,13,16,19-hexaaza-cyclotetracosane
SpectraBase Compound ID BRHyutjVQK8
InChI InChI=1S/C60H78N6O12S6/c1-49-13-25-55(26-14-49)79(67,68)61-37-9-7-10-38-62(80(69,70)56-27-15-50(2)16-28-56)43-47-66(84(77,78)60-35-23-54(6)24-36-60)48-44-64(82(73,74)58-31-19-52(4)20-32-58)40-12-8-11-39-63(81(71,72)57-29-17-51(3)18-30-57)42-46-65(45-41-61)83(75,76)59-33-21-53(5)22-34-59/h13-36H,7-12,37-48H2,1-6H3
InChIKey LZFGFQGICHMEOX-UHFFFAOYSA-N
Mol Weight 1267.7 g/mol
Molecular Formula C60H78N6O12S6
Exact Mass 1266.400199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8lZ0ET3cnpQ
Name 1,4,7,13,16,19-Hexakis(4-tolyl-sulfonyl)-1,4,7,13,16,19-hexaaza-cyclotetracosane
CAS Registry Number 56187-01-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C60H78N6O12S6
InChI InChI=1S/C60H78N6O12S6/c1-49-13-25-55(26-14-49)79(67,68)61-37-9-7-10-38-62(80(69,70)56-27-15-50(2)16-28-56)43-47-66(84(77,78)60-35-23-54(6)24-36-60)48-44-64(82(73,74)58-31-19-52(4)20-32-58)40-12-8-11-39-63(81(71,72)57-29-17-51(3)18-30-57)42-46-65(45-41-61)83(75,76)59-33-21-53(5)22-34-59/h13-36H,7-12,37-48H2,1-6H3
InChIKey LZFGFQGICHMEOX-UHFFFAOYSA-N
Instrument Name Bruker WP-200
Literature Reference M.W. Hosseini, J.M. Lehn, J. Am. Chem. Soc. 109, 7047 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3