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Octahydro-3,7:21,25-dimetheno-8,11,14,17,20,1,24-benzopentaoxadiaza-cyclononacosine-32,33-diol-/per-O/barium dication
SpectraBase Compound ID 2UA4QCfkG4T
InChI InChI=1S/C28H30N2O7.Ba/c31-27-21-5-3-9-25(27)36-17-15-34-13-11-33-12-14-35-16-18-37-26-10-4-6-22(28(26)32)20-30-24-8-2-1-7-23(24)29-19-21;/h1-10,19-20,31-32H,11-18H2;/q;+2/b29-19+,30-20+;
InChIKey UVKIYCWJCUYGMU-UMMVYMHASA-N
Mol Weight 643.88 g/mol
Molecular Formula C28H30BaN2O7
Exact Mass 644.110548 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BO7dvRNNFaC
Name Octahydro-3,7:21,25-dimetheno-8,11,14,17,20,1,24-benzopentaoxadiaza-cyclononacosine-32,33-diol-/per-O/barium dication
Comments 9,10,12,13,15,16,18,19-OCTAHYDRO BIS(TRIFLUOROMETHANESULFONATE)
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C28H30BaN2O7
InChI InChI=1S/C28H30N2O7.Ba/c31-27-21-5-3-9-25(27)36-17-15-34-13-11-33-12-14-35-16-18-37-26-10-4-6-22(28(26)32)20-30-24-8-2-1-7-23(24)29-19-21;/h1-10,19-20,31-32H,11-18H2;/q;+2/b29-19+,30-20+;
InChIKey UVKIYCWJCUYGMU-UMMVYMHASA-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