For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1,4,7,12,15,18-Hexakis(4-tolylsulfonyl)-1,4,7,12,15,18-hexaaza-cyclodocosane

View entire compound with spectra: 1 NMR

1,4,7,12,15,18-Hexakis(4-tolylsulfonyl)-1,4,7,12,15,18-hexaaza-cyclodocosane
SpectraBase Compound ID 92GWUqXnxMr
InChI InChI=1S/C58H74N6O12S6/c1-47-11-23-53(24-12-47)77(65,66)59-35-7-8-36-60(78(67,68)54-25-13-48(2)14-26-54)41-45-64(82(75,76)58-33-21-52(6)22-34-58)46-42-62(80(71,72)56-29-17-50(4)18-30-56)38-10-9-37-61(79(69,70)55-27-15-49(3)16-28-55)40-44-63(43-39-59)81(73,74)57-31-19-51(5)20-32-57/h11-34H,7-10,35-46H2,1-6H3
InChIKey XLIJAWCTGYTNRH-UHFFFAOYSA-N
Mol Weight 1239.6 g/mol
Molecular Formula C58H74N6O12S6
Exact Mass 1238.368899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7QPfC6cPxJw
Name 1,4,7,12,15,18-Hexakis(4-tolylsulfonyl)-1,4,7,12,15,18-hexaaza-cyclodocosane
CAS Registry Number 77416-61-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C58H74N6O12S6
InChI InChI=1S/C58H74N6O12S6/c1-47-11-23-53(24-12-47)77(65,66)59-35-7-8-36-60(78(67,68)54-25-13-48(2)14-26-54)41-45-64(82(75,76)58-33-21-52(6)22-34-58)46-42-62(80(71,72)56-29-17-50(4)18-30-56)38-10-9-37-61(79(69,70)55-27-15-49(3)16-28-55)40-44-63(43-39-59)81(73,74)57-31-19-51(5)20-32-57/h11-34H,7-10,35-46H2,1-6H3
InChIKey XLIJAWCTGYTNRH-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