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1,2,4,5,7,8,10,11,13,14,24,25-Dodecahydro-18,21-dioxonia-15,23-16,22-dimetheno-benzo(1,2-A-5,4-A')dientaphene dication
SpectraBase Compound ID JUfNvDh7KiO
InChI InChI=1S/C46H34O2/c1-2-24-14-28-6-10-32-18-34-12-8-30-16-26-4-3-25-15-29-7-11-33-17-31-9-5-27-13-23(1)35-19-39(27)43(31)47-45(33)41(29)21-37(25)38(26)22-42(30)46(34)48-44(32)40(28)20-36(24)35/h13-22H,1-12H2/q+2
InChIKey MGKSLNYRTYDVHZ-UHFFFAOYSA-N
Mol Weight 618.8 g/mol
Molecular Formula C46H34O2
Exact Mass 618.25588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LlpPMXd1Rcm
Name 1,2,4,5,7,8,10,11,13,14,24,25-Dodecahydro-18,21-dioxonia-15,23-16,22-dimetheno-benzo(1,2-A-5,4-A')dientaphene dication
CAS Registry Number 85153-05-5
Comments ANION TRIFLUOROMETHANESULFONATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C46H34O2
InChI InChI=1S/C46H34O2/c1-2-24-14-28-6-10-32-18-34-12-8-30-16-26-4-3-25-15-29-7-11-33-17-31-9-5-27-13-23(1)35-19-39(27)43(31)47-45(33)41(29)21-37(25)38(26)22-42(30)46(34)48-44(32)40(28)20-36(24)35/h13-22H,1-12H2/q+2
InChIKey MGKSLNYRTYDVHZ-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference A.R. Katritzky, C.M. Manson, J. Am. Chem. Soc. 105, 3279 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3