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1,13-Dioxa-4,7,10,16,19,22-hexaaza-4,7,10,16,19,22-hexatosyl-cyclotetracosane

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1,13-Dioxa-4,7,10,16,19,22-hexaaza-4,7,10,16,19,22-hexatosyl-cyclotetracosane
SpectraBase Compound ID EQG09roERFC
InChI InChI=1S/C58H74N6O14S6/c1-47-7-19-53(20-8-47)79(65,66)59-31-35-61(81(69,70)55-23-11-49(3)12-24-55)39-43-77-45-41-63(83(73,74)57-27-15-51(5)16-28-57)37-33-60(80(67,68)54-21-9-48(2)10-22-54)34-38-64(84(75,76)58-29-17-52(6)18-30-58)42-46-78-44-40-62(36-32-59)82(71,72)56-25-13-50(4)14-26-56/h7-30H,31-46H2,1-6H3
InChIKey AESOFRBCIHVMII-UHFFFAOYSA-N
Mol Weight 1271.6 g/mol
Molecular Formula C58H74N6O14S6
Exact Mass 1270.358728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BOBWKjK6Exc
Name 1,13-Dioxa-4,7,10,16,19,22-hexaaza-4,7,10,16,19,22-hexatosyl-cyclotetracosane
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Formula C58H74N6O14S6
InChI InChI=1S/C58H74N6O14S6/c1-47-7-19-53(20-8-47)79(65,66)59-31-35-61(81(69,70)55-23-11-49(3)12-24-55)39-43-77-45-41-63(83(73,74)57-27-15-51(5)16-28-57)37-33-60(80(67,68)54-21-9-48(2)10-22-54)34-38-64(84(75,76)58-29-17-52(6)18-30-58)42-46-78-44-40-62(36-32-59)82(71,72)56-25-13-50(4)14-26-56/h7-30H,31-46H2,1-6H3
InChIKey AESOFRBCIHVMII-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference J. Comarmond, P. Plumere, J.M.Lehn, J. Am. Chem. Soc. 104, 6330 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3