The Chemistry Department has a NMR facility with several spectrometers located on the fifth floor of NHB.  Training is required and given to each student on how to prepare an NMR sample and analyzing the spectra.  We have several computers with the software already on them in the lab that you can use, but the software is free to download and install, instructions below.

Analysis of Spectra:
We use the software Mestrenova (MNova) to assign peaks and analyze our spectra. Click here for a beginner’s guide.

Downloading and installing MNova on your personal computer:
Download and use VPN to use all UT’s services off campus 

• Go to: vpn.utexas.edu
• Download and install AnyConnect
• Open AnyConnect and enter vpn.utexas.edu 
• You will need to click connect, let it fail, and then in the pop-up window:
  • enter your EID, 
  • password, 
  • and for the “second password” enter push to DUO authenticate 
• Now, all the software will think you are on UT’s campus

Campus License and Server Access for MNova:
MestReNova requires additional license files.

• PC Users: 

• • • Open File Explorer
    • Select This PC
    • At the top of the window click on Map network drive
    • Enter \\cm-srv-fs.austin.utexas.edu\nmr
    • Select Reconnect at login and Connect using different credentials 
    • Click Finish
    • For log name enter “austin\your EID” and then your password
    • You will see the three license files, now download MNova.

• Mac Users: 

• • From the Desktop with Finder Menu, Select Go
  • Choose Connect to Server
  • Server Address: smb://cm-srv-fs.austin.utexas.edu/nmr
  • Click Connect
  • You will be asked to login, enter “austin\your EID” and then your password
  • You will see the three license files, now download MNova.

Download MestReNova:

• Go to: https://mestrelab.com/download/mnova/
• Download and install the latest MestReNova version for Mac or PC.
• Open MNova and add the three license files you accessed previously, choosing one at a time.
• Once all three have been added, close MNova and reopen it.  It should open without asking you for the licensing files.
• Now you can open the MNova file that I put in our lab folder.

Using MNova:

1. Open the file
2. Open ChemDraw
3. Draw the compound that is in the NMR and copy and paste it to MNova
4. Add peak labels 
5. Integrate the peaks
6. Assign the peaks to the protons on the structure (click on peak, click on structure)
   1. Use the reference chart and the integration to figure out which peaks are correct
   2. Take notice of any peaks that don’t seem to fit (like an aldehyde peak at 10ppm; solvent peak [CDCl3 at 7.26ppm]; peaks for the solvent, etc).

Additional Information

• Check out the following MestReNova Tutorials. Watch the videos!
  • http://mestrelab.com/resources/starting-guide-to-mnova-nmr-1d/
  • http://mestrelab.com/resources/starting-guide-to-mnova-nmrpredict/

• NMR Spectra
  • Each time you perform an experiment, it is your responsibility to obtain an H’NMR spectra in order to assess your reaction purity and identify your compound.
  • Each spectrum should be annotated according to the guidelines I have provided/shown you.
  • You can save your work and email MNova files.