Accuracy in determining interproton distances using Nuclear Overhauser Effect data from a flexible molecule

Accuracy in determining interproton distances using Nuclear Overhauser Effect data from a flexible molecule

The determination of accurate NOE-derived interproton distances and confirmation/prediction of relative populations in multi-conformer, flexible small molecules was investigated with the model compound 4-propylaniline. The low accuracy assumed for semi-quantitative NOE distance restraints is typical...

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Bibliographic Details
Main Authors: Catharine R. Jones, Craig P. Butts, Jeremy N. Harvey
Format: Article
Language:English
Published: Beilstein-Institut 2011-02-01
Series:Beilstein Journal of Organic Chemistry
Subjects:
conformation
internuclear distances
NMR spectroscopy
NOE
Online Access:https://doi.org/10.3762/bjoc.7.20

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