Article ID Journal Published Year Pages File Type
5417245 Journal of Molecular Structure: THEOCHEM 2009 4 Pages PDF
Abstract
Theoretical calculations have been carried on four compounds, bicyclo[4.1.0]heptan-7-one cis and trans, 2-cyclohepten-1-one and cycloheptenyl cation to determine their UV, IR and NMR spectra (chemical shifts). In the case of the known 2-cyclohepten-1-one the agreement is satisfactory. Predictive properties have been calculated for the elusive bicyclo[4.1.0]heptan-7-one cis molecule.
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Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Does 7-norcaranone (bicyclo[4.1.0]heptan-7-one) exist?
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