Structural reassignment of obtusallenes V, VI, and VII by GIAO-based density functional prediction.
Revised structures proposed previously for obtusallenes V-VII ( 5- 7) have been confirmed on the basis of computed GIAO-DFT 13C NMR chemical shifts.
Braddock
D Christopher
DC
Department of Chemistry, Imperial College London, London, UK.
Rzepa
Henry S
HS
D004988:Ethers, Cyclic / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure; D019906:Nuclear Magnetic Resonance, Biomolecular
D004988:Ethers, Cyclic; C522877:obtusallene