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Dodecahydro-3,7:27,31-dimetheno-8,11,14,17,20,23,26,1,30-benzo-heptaoxadiaza-cyclopentatriacontine-38,39-diol-/per-O/bar
SpectraBase Compound ID Cfqc42zUvuf
InChI InChI=1S/C32H38N2O9.Ba/c35-31-25-5-3-9-29(31)42-21-19-40-17-15-38-13-11-37-12-14-39-16-18-41-20-22-43-30-10-4-6-26(32(30)36)24-34-28-8-2-1-7-27(28)33-23-25;/h1-10,23-24,35-36H,11-22H2;/q;+2/b33-23+,34-24+;
InChIKey LLGIAYXCOCRMKK-KKSXEPMBSA-N
Mol Weight 732.0 g/mol
Molecular Formula C32H38BaN2O9
Exact Mass 732.162978 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IBMhvwfsyqm
Name Dodecahydro-3,7:27,31-dimetheno-8,11,14,17,20,23,26,1,30-benzo-heptaoxadiaza-cyclopentatriacontine-38,39-diol-/per-O/bar
Comments 9,10,12,13,15,16,18,19,21,22,24,25-DODECAHYDRO PERCHLORATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C32H38BaN2O9
InChI InChI=1S/C32H38N2O9.Ba/c35-31-25-5-3-9-29(31)42-21-19-40-17-15-38-13-11-37-12-14-39-16-18-41-20-22-43-30-10-4-6-26(32(30)36)24-34-28-8-2-1-7-27(28)33-23-25;/h1-10,23-24,35-36H,11-22H2;/q;+2/b33-23+,34-24+;
InChIKey LLGIAYXCOCRMKK-KKSXEPMBSA-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