Calculation of NMR observables from computed conformers as a tool of structure verification. Confirmation of the stereochemistry of trans-methyl 2,3-dimethyl-5-methoxy-2-cyclohexene-1-carboxylate

Calculation of NMR observables from computed conformers as a tool of structure verification. Confirmation of the stereochemistry of trans-methyl 2,3-dimethyl-5-methoxy-2-cyclohexene-1-carboxylate

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Bibliographic Details
Published in:Journal of organic chemistry Vol. 58; no. 6; pp. 1400 - 1406
Main Authors: Martin, Jeffrey T, Norrby, Per Ola, Aakermark, Bjoern
Format: Journal Article
Language:English
Published: Washington, DC American Chemical Society 01-03-1993
Subjects:
Atomic and molecular physics
Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations)
Electronic structure of atoms, molecules and their ions: theory
Exact sciences and technology
Physics
Unsaturated cyclic compound
Overhauser effect
Theoretical study
Coupling constant
Stereochemistry
Energy
MNDO method
Force field method
Carboxylate
LS coupling
Molecular constant
NMR spectrum
Conformational equilibrium
AM1 method
Organic compounds
Conformation
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Description
Bibliography:istex:5B16C55D086A44526E8248C4072D97D1B30342D0
ark:/67375/TPS-VX1W18L8-R
ISSN:0022-3263
1520-6904
DOI:10.1021/jo00058a020