Your Super TA, Chun Park, brought to my attention that HyperCube is offering a 30 day evaluation period for the new version 7 of HyperChem computational chemistry software.  In addition to expanded ab initio options plus DFT and MP2, they have included the Hyper NMR computational add-on, plus the polymer, crystals and sugar builders and QSAR (note: vibrations and orbitals are not available in the evaluation copy.)  I have installed one copy of the new version on the first PC in GBAD 311 if you want to try it out to calculate the H-NMR for your ketone.  If you want to run it on your own PC system, you can download the self-extracting file (~40MB) from http://www.hyper.com  

Using HyperChem 7 to calculate the NMR spectrum:
 

  1. Open a previously optimized structure, the .hin file.  If you don’t have a previous optimized structure, open a sample file.  To optimize your own structure, see the directions that Chun Park wrote (there is also a hard copy in GBAD 311)

http://www.chem.orst.edu/ch361-64/ch463/Using%20HyperChem%20version%205.pdf 

or the self-help-directions that I have posted for Integrated Lab use at
http://www.chem.orst.edu/ch361-464/ch463/HYPERCH98.htm 

  1. Select, Select All
  2. Select, Name Selection, NMR Atoms
  3. Compute, Invoke NMR
  4. Compute, Setup Spectrum
  5. Select proton with weak coupling approximation, select field strength
  6. Go to Compute, Spectrum
  7. Display Spectrum.  I found that I had to click on the top scroll bar to activate the display.  Clicking on a line selects the line and the value of the chemical shift etc is displayed.
  8. View Spectrum, allows you to display the envelope or lines or both.   Here what envelop and lines looks like for a calculated spectrum for an unsymmetrical benzophenone: