NMR Analysis of Codeine
Codeine was selected as a test sample to illustrate the application of different NMR experiments to structure determination and assignment, and to compare various versions of each experiment.
C18H21NO3, MW= 299.4
NMR samples used were between 3 and 18 mg, in .65ml CDCl3 with TMS, run on a JEOL Eclipse+ 400 spectrometer.
Interactive view – Those who have installed the Chime plug-in can view and manipulate the codeine structure in 3D, examine and expand the 1H spectrum, and interactively correlate 1H peaks with H atoms in the structure. This page also includes detailed description of how to display structures and spectra interactively using Chime.
MDL has finally modified the plug-in to work with IE 6. This new version is 2.6 sp 4.
Each experiment is described, along with acquisition and processing parameters, and spectra are shown with assignment of all peaks. For readers interested in the details of data acquisition, several good books are available.
In the course of acquiring and processing these data, some observations were made, including:
Processed data are also available for download:
Last updated: 06/14/2010