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(2)-Catenane

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(2)-Catenane
SpectraBase Compound ID DhFcfBYm8A1
InChI InChI=1S/C28H56.C27H53NO/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-27-25-23-21-19-17-15-13-11-9-7-5-3-1;1-27(29)28-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28/h1-28H2;2-26H2,1H3
InChIKey MBFIJCKHDBJHIP-UHFFFAOYSA-N
Mol Weight 800.5 g/mol
Molecular Formula C55H109NO
Exact Mass 799.850917 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6RFVqMJHZHV
Name (2)-Catenane
CAS Registry Number 47635-52-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C55H109NO
InChI InChI=1S/C28H56.C27H53NO/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-27-25-23-21-19-17-15-13-11-9-7-5-3-1;1-27(29)28-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28/h1-28H2;2-26H2,1H3
InChIKey MBFIJCKHDBJHIP-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference H. Fritz, E. Logemann, Chem. Ber. 109, 1258 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Cyclohex-D12