For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(1RS,3RS,4SR)-1,3,4-TRIMETHYL-3-[3'-(PARA-TOLUENESULFONYL)-PROPYL]-BICYCLO-[2.2.2]-OCT-5-EN-2-ONE
SpectraBase Compound ID COJj4ZKodEO
InChI InChI=1S/C21H28O4S/c1-16-6-8-17(9-7-16)26(23,24)25-15-5-10-21(4)18(22)19(2)11-13-20(21,3)14-12-19/h6-9,11,13H,5,10,12,14-15H2,1-4H3/t19-,20+,21-/m0/s1
InChIKey NJEKZFVEMMNOES-HBMCJLEFSA-N
Mol Weight 376.51 g/mol
Molecular Formula C21H28O4S
Exact Mass 376.170831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID ERW7i58uBGx
Name (1RS,3RS,4SR)-1,3,4-TRIMETHYL-3-[3'-(PARA-TOLUENESULFONYL)-PROPYL]-BICYCLO-[2.2.2]-OCT-5-EN-2-ONE
Compound Number 50
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O4S
InChI InChI=1S/C21H28O4S/c1-16-6-8-17(9-7-16)26(23,24)25-15-5-10-21(4)18(22)19(2)11-13-20(21,3)14-12-19/h6-9,11,13H,5,10,12,14-15H2,1-4H3/t19-,20+,21-/m0/s1
InChIKey NJEKZFVEMMNOES-HBMCJLEFSA-N
Literature Reference Author R.L.SNOWDEN,R.BRAUCHLI,P.SONNAY
Literature Reference Citation HELV.CHIM.ACTA,72,570(1989)
Literature Reference DOI 10.1002/hlca.19890720318
Molecular Weight 376.511 g/mol
Solvent CDCl3
Source File Reference UWED12608