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1,6,13,18,23,30,39,46-Octaazaoctacyclo(16.16.16.2.2.2.2.2.2)dohexacontaoctadecaene

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1,6,13,18,23,30,39,46-Octaazaoctacyclo(16.16.16.2.2.2.2.2.2)dohexacontaoctadecaene
SpectraBase Compound ID 9oVGDoeXe88
InChI InChI=1S/C54H66N8/c1-2-8-38-56-44-15-27-50(28-16-44)62-53-33-21-47(22-34-53)59-41-11-5-3-9-39-57-45-17-29-51(30-18-45)61(49-25-13-43(14-26-49)55-37-7-1)52-31-19-46(20-32-52)58-40-10-4-6-12-42-60-48-23-35-54(62)36-24-48/h13-36,55-60H,1-12,37-42H2
InChIKey OUPAAFMMUTWZKE-UHFFFAOYSA-N
Mol Weight 827.2 g/mol
Molecular Formula C54H66N8
Exact Mass 826.541044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bin4USb9ecy
Name 1,6,13,18,23,30,39,46-Octaazaoctacyclo(16.16.16.2.2.2.2.2.2)dohexacontaoctadecaene
CAS Registry Number 100814-17-3
Comments hydrochloride
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C54H66N8
InChI InChI=1S/C54H66N8/c1-2-8-38-56-44-15-27-50(28-16-44)62-53-33-21-47(22-34-53)59-41-11-5-3-9-39-57-45-17-29-51(30-18-45)61(49-25-13-43(14-26-49)55-37-7-1)52-31-19-46(20-32-52)58-40-10-4-6-12-42-60-48-23-35-54(62)36-24-48/h13-36,55-60H,1-12,37-42H2
InChIKey OUPAAFMMUTWZKE-UHFFFAOYSA-N
Literature Reference H. Schrage, J. Franke, F. Voegtle, Angew. Chem. 98, 335 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O