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1,10,24,33-Tetrakis-(4-tolyl-sulfonyl)-1,10,24,3 3-tetraaza(10.1.10.1)paracyclophane
SpectraBase Compound ID DfKDHeeT8ja
InChI InChI=1S/C70H80N4O8S4/c1-55-17-41-67(42-18-55)83(75,76)71-49-13-9-5-6-10-14-50-72(84(77,78)68-43-19-56(2)20-44-68)65-37-29-61(30-38-65)54-62-31-39-66(40-32-62)74(86(81,82)70-47-23-58(4)24-48-70)52-16-12-8-7-11-15-51-73(85(79,80)69-45-21-57(3)22-46-69)64-35-27-60(28-36-64)53-59-25-33-63(71)34-26-59/h17-48H,5-16,49-54H2,1-4H3
InChIKey TWJMCXRGRNHLGZ-UHFFFAOYSA-N
Mol Weight 1233.7 g/mol
Molecular Formula C70H80N4O8S4
Exact Mass 1232.4859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9JFRc1FM3ey
Name 1,10,24,33-Tetrakis-(4-tolyl-sulfonyl)-1,10,24,3 3-tetraaza(10.1.10.1)paracyclophane
CAS Registry Number 77131-88-5
Comments CDCL3/ME2SO 80/20 AS SOLVENT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C70H80N4O8S4
InChI InChI=1S/C70H80N4O8S4/c1-55-17-41-67(42-18-55)83(75,76)71-49-13-9-5-6-10-14-50-72(84(77,78)68-43-19-56(2)20-44-68)65-37-29-61(30-38-65)54-62-31-39-66(40-32-62)74(86(81,82)70-47-23-58(4)24-48-70)52-16-12-8-7-11-15-51-73(85(79,80)69-45-21-57(3)22-46-69)64-35-27-60(28-36-64)53-59-25-33-63(71)34-26-59/h17-48H,5-16,49-54H2,1-4H3
InChIKey TWJMCXRGRNHLGZ-UHFFFAOYSA-N
Instrument Name Bruker AM-400
Literature Reference S. Kumar, H-J. Schneider, J. Chem. Soc. Perkin II 245 (1989).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Mixture