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BICYCLO-[2.2.2]-OCT-1-YL-PARA-NITROBENZENESULFONATE;X=H
SpectraBase Compound ID 3ilF1OoD70Y
InChI InChI=1S/C14H17NO5S/c16-15(17)12-1-3-13(4-2-12)21(18,19)20-14-8-5-11(6-9-14)7-10-14/h1-4,11H,5-10H2
InChIKey PBHPTSVKMJEFTD-UHFFFAOYSA-N
Mol Weight 311.35 g/mol
Molecular Formula C14H17NO5S
Exact Mass 311.082744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7vhOm8SYxmS
Name BICYCLO-[2.2.2]-OCT-1-YL-PARA-NITROBENZENESULFONATE;X=H
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H17NO5S
InChI InChI=1S/C14H17NO5S/c16-15(17)12-1-3-13(4-2-12)21(18,19)20-14-8-5-11(6-9-14)7-10-14/h1-4,11H,5-10H2
InChIKey PBHPTSVKMJEFTD-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 311.353 g/mol
Solvent CDCl3
Source File Reference UWRU6618