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Tetradecahydro-3,7:30,34-dimetheno-benzooctaoxadiaza-cyclooctatriacontine-41,42-diol-/per-O/barium dication
SpectraBase Compound ID 1us5VHkPXQe
InChI InChI=1S/C34H42N2O10.Ba/c37-33-27-5-3-9-31(33)45-23-21-43-19-17-41-15-13-39-11-12-40-14-16-42-18-20-44-22-24-46-32-10-4-6-28(34(32)38)26-36-30-8-2-1-7-29(30)35-25-27;/h1-10,25-26,37-38H,11-24H2;/q;+2/b35-25+,36-26+;
InChIKey ILHKGOJSIFIBSZ-PLEGDBJFSA-N
Mol Weight 776.0 g/mol
Molecular Formula C34H42BaN2O10
Exact Mass 776.189193 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ajZ2ydqnrk
Name Tetradecahydro-3,7:30,34-dimetheno-benzooctaoxadiaza-cyclooctatriacontine-41,42-diol-/per-O/barium dication
Comments 9,10,12,13,15,16,18,19,21,22,24,25,27,28-TETRADECAHYDRO 8,11,14,17,20,23,26,29,1,36-BENZOOCTAOXADIAZA PERCHLORATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C34H42BaN2O10
InChI InChI=1S/C34H42N2O10.Ba/c37-33-27-5-3-9-31(33)45-23-21-43-19-17-41-15-13-39-11-12-40-14-16-42-18-20-44-22-24-46-32-10-4-6-28(34(32)38)26-36-30-8-2-1-7-29(30)35-25-27;/h1-10,25-26,37-38H,11-24H2;/q;+2/b35-25+,36-26+;
InChIKey ILHKGOJSIFIBSZ-PLEGDBJFSA-N
Instrument Name SF = 200 MHz
Literature Reference C.J. Van Staveren, J. Van Eerden, J. Am. Chem. Soc. 110, 4994 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6