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26-Benzoyl-hexahydro-3,7:18,22-dimetheno-8,11,14,17,1,24-benzotetraoxadiaza-cyclohexacosine-29,23-diol-/per-O/barium dic
SpectraBase Compound ID IMX661vbuG4
InChI InChI=1S/C33H30N2O7.Ba/c36-31(23-6-2-1-3-7-23)24-12-13-27-28(20-24)35-22-26-9-5-11-30(33(26)38)42-19-17-40-15-14-39-16-18-41-29-10-4-8-25(21-34-27)32(29)37;/h1-13,20-22,37-38H,14-19H2;/q;+2/b34-21+,35-22+;
InChIKey NSWAQGJIJRJQQP-JWJKAOPMSA-N
Mol Weight 703.9 g/mol
Molecular Formula C33H30BaN2O7
Exact Mass 704.110548 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8vie3MdtNNA
Name 26-Benzoyl-hexahydro-3,7:18,22-dimetheno-8,11,14,17,1,24-benzotetraoxadiaza-cyclohexacosine-29,23-diol-/per-O/barium dic
Comments 9,10,12,13,15,16-HEXAHYDRO BIS(TRIFLUOROMETHANESULFONATE)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C33H30BaN2O7
InChI InChI=1S/C33H30N2O7.Ba/c36-31(23-6-2-1-3-7-23)24-12-13-27-28(20-24)35-22-26-9-5-11-30(33(26)38)42-19-17-40-15-14-39-16-18-41-29-10-4-8-25(21-34-27)32(29)37;/h1-13,20-22,37-38H,14-19H2;/q;+2/b34-21+,35-22+;
InChIKey NSWAQGJIJRJQQP-JWJKAOPMSA-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