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N-(4-(TRIMETHYLSILYL)-BICYCLO-[2.2.2]-OCT-1-YL)-PYRIDINIUM-PARA-NITROBENZENESULFONATE;X=SIME(3)
SpectraBase Compound ID DBmRyYtmHW2
InChI InChI=1S/C22H29N2O5SSi/c1-31(2,3)22-13-10-21(11-14-22,12-15-22)23-16-8-19(9-17-23)29-30(27,28)20-6-4-18(5-7-20)24(25)26/h4-9,16-17H,10-15H2,1-3H3
InChIKey RMEOJJBVVMUVBP-UHFFFAOYSA-N
Mol Weight 461.63 g/mol
Molecular Formula C22H29N2O5SSi
Exact Mass 461.156645 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3hdtQgGn25Y
Name N-(4-(TRIMETHYLSILYL)-BICYCLO-[2.2.2]-OCT-1-YL)-PYRIDINIUM-PARA-NITROBENZENESULFONATE;X=SIME(3)
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H29N2O5SSi
InChI InChI=1S/C22H29N2O5SSi/c1-31(2,3)22-13-10-21(11-14-22,12-15-22)23-16-8-19(9-17-23)29-30(27,28)20-6-4-18(5-7-20)24(25)26/h4-9,16-17H,10-15H2,1-3H3
InChIKey RMEOJJBVVMUVBP-UHFFFAOYSA-N
Literature Reference Author W.ADCOCK,A.R.KRSTIC,P.J.DUGGAN,V.J.SHINER,J.COOPE,M.W.ENSING ER
Literature Reference Citation J.AM.CHEM.SOC.,112,3140(1990)
Literature Reference DOI 10.1021/ja00164a040
Molecular Weight 461.628 g/mol
Solvent CDCl3