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5-EXO-PARA-TOLUENESULFONYLBICYCLO-[2.2.2]-OCT-2-ENE
SpectraBase Compound ID 3JDOlQqv944
InChI InChI=1S/C16H20O3S/c1-12-2-8-16(9-3-12)20(17,18)19-11-15-10-13-4-6-14(15)7-5-13/h2-4,6,8-9,13-15H,5,7,10-11H2,1H3/t13-,14+,15+/m0/s1
InChIKey ZWCNZFHRMBLIQH-RRFJBIMHSA-N
Mol Weight 292.39 g/mol
Molecular Formula C16H20O3S
Exact Mass 292.113316 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BzsqmIWB9dQ
Name 5-EXO-PARA-TOLUENESULFONYLBICYCLO-[2.2.2]-OCT-2-ENE
Compound Number 2G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20O3S
InChI InChI=1S/C16H20O3S/c1-12-2-8-16(9-3-12)20(17,18)19-11-15-10-13-4-6-14(15)7-5-13/h2-4,6,8-9,13-15H,5,7,10-11H2,1H3/t13-,14+,15+/m0/s1
InChIKey ZWCNZFHRMBLIQH-RRFJBIMHSA-N
Literature Reference Author T.OHWADA,M.UCHIYAMA,M.TSUJI,I.OKAMOTO,K.SHUDO
Literature Reference Citation CHEM.PHARM.BULL.,44,296(1996)
Literature Reference DOI 10.1248/cpb.44.296
Molecular Weight 292.393 g/mol
Solvent CDCl3
Source File Reference UWLU31627