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3,6,9,17,20,23-HEXATOSYL-3,6,9,17,20,23,29,30-OCTAAZA-TRICYCLO-[23.3.1.1(11,15)]-TRIACONTA-1(29),11(30),12,14,25,27-HEXAENE

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3,6,9,17,20,23-HEXATOSYL-3,6,9,17,20,23,29,30-OCTAAZA-TRICYCLO-[23.3.1.1(11,15)]-TRIACONTA-1(29),11(30),12,14,25,27-HEXAENE
SpectraBase Compound ID 7jKeWM8cdZW
InChI InChI=1S/C64H72N8O12S6/c1-49-13-25-59(26-14-49)85(73,74)67-37-41-69(87(77,78)61-29-17-51(3)18-30-61)45-55-9-7-11-57(65-55)47-71(89(81,82)63-33-21-53(5)22-34-63)43-39-68(86(75,76)60-27-15-50(2)16-28-60)40-44-72(90(83,84)64-35-23-54(6)24-36-64)48-58-12-8-10-56(66-58)46-70(42-38-67)88(79,80)62-31-19-52(4)20-32-62/h7-36H,37-48H2,1-6H3
InChIKey OVTDKCRIDPNTFT-UHFFFAOYSA-N
Mol Weight 1337.7 g/mol
Molecular Formula C64H72N8O12S6
Exact Mass 1336.359397 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6HHvQGMAY1H
Name 3,6,9,17,20,23-HEXATOSYL-3,6,9,17,20,23,29,30-OCTAAZA-TRICYCLO-[23.3.1.1(11,15)]-TRIACONTA-1(29),11(30),12,14,25,27-HEXAENE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C64H72N8O12S6
InChI InChI=1S/C64H72N8O12S6/c1-49-13-25-59(26-14-49)85(73,74)67-37-41-69(87(77,78)61-29-17-51(3)18-30-61)45-55-9-7-11-57(65-55)47-71(89(81,82)63-33-21-53(5)22-34-63)43-39-68(86(75,76)60-27-15-50(2)16-28-60)40-44-72(90(83,84)64-35-23-54(6)24-36-64)48-58-12-8-10-56(66-58)46-70(42-38-67)88(79,80)62-31-19-52(4)20-32-62/h7-36H,37-48H2,1-6H3
InChIKey OVTDKCRIDPNTFT-UHFFFAOYSA-N
Literature Reference Author M.W.HOSSEINI,J.COMARMOND,J.M.LEHN
Literature Reference Citation HELV.CHIM.ACTA,72,1066(1989)
Literature Reference DOI 10.1002/hlca.19890720525
Molecular Weight 1337.682 g/mol
Solvent CDCl3
Source File Reference UWCS12579