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Hexahydro-26-methyl-3,7:18,22-dimetheno-8,11,14,17,1,24-benzotetraoxadiaza-cyclohexacosine-29,23-diol-/per-O/barium dica
SpectraBase Compound ID 5FSmkyqSxyn
InChI InChI=1S/C27H28N2O6.Ba.2H/c1-19-8-9-22-23(16-19)29-18-21-5-3-7-25(27(21)31)35-15-13-33-11-10-32-12-14-34-24-6-2-4-20(17-28-22)26(24)30;;;/h2-9,16-18,30-31H,10-15H2,1H3;;;/b28-17+,29-18+;;;
InChIKey DBXSQMHKLIGYTH-FUTCBIPQSA-N
Mol Weight 615.87 g/mol
Molecular Formula C27H30BaN2O6
Exact Mass 616.115634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ir7gngyCP1M
Name Hexahydro-26-methyl-3,7:18,22-dimetheno-8,11,14,17,1,24-benzotetraoxadiaza-cyclohexacosine-29,23-diol-/per-O/barium dica
Comments 9,10,12,13,15,16-HEXAHYDRO BIS(TRIFLUOROMETHANESULFONATE)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H30BaN2O6
InChI InChI=1S/C27H28N2O6.Ba.2H/c1-19-8-9-22-23(16-19)29-18-21-5-3-7-25(27(21)31)35-15-13-33-11-10-32-12-14-34-24-6-2-4-20(17-28-22)26(24)30;;;/h2-9,16-18,30-31H,10-15H2,1H3;;;/b28-17+,29-18+;;;
InChIKey DBXSQMHKLIGYTH-FUTCBIPQSA-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