About This Site...
This site was developed (primarily) as a class presentation tool for organic chemistry courses. The Java plugin is required to view the chemical structures and NMR spectra using Java applets JMol and JSpecview.
There are four tab sections
associated with each molecule:
- Structure: contains a manipulable structure of the molecule. The
framework of the molecule is represented as a
stick structure
, and each proton is represented as a white sphere. - Proton Equivalence: contains one or more manipulable structures of the
molecule. A separate structure is used to illustrate each
set
of magnetically-equivalent protons in the molecule. For each structure, the magnetically-equivalent protons are represented as red spheres - all other protons are represented as white spheres. - Predicted Chemical Shifts: contains one or more manipulable structures
of the molecule. A separate structure is used to illustrate each
set
of magnetically-equivalent protons in the molecule. For each structure, the magnetically-equivalent protons are represented as red spheres - all other protons are represented as white spheres. Expected (based on tabulated data) chemical shifts for the sets of magnetically-equivalent protons are listed above each structure. - NMR Spectrum: contains the NMR spectrum of the molecule and a
manipulable structure. Clicking on a peak in the NMR spectrum will cause red spheres to appear in the structure which represent the protons
associated with the NMR absorption. In addition, if the (absorbing) protons are coupled
with other protons in the molecule, these protons will appear in the structure as green spheres.
An expanded view of any part of the NMR spectrum can be obtained by
clicking and dragging
over that region of the NMR spectrum. To return the NMR spectrum to full scale, right-click on the NMR spectrum and selectZoom Reset
from the menu that appears.
Unless noted otherwise, all spectra were recorded as solutions in CDCl3.