Interpreting FTIR & MS Spectra
Interpreting FTIR & MS spectra is a skill that often requires some amount of practice, which, in turn, necessitates access to a collection of FTIR & MS spectra. Virtual ChemLab has a spectra library containing more than 700 FTIR & MS spectra.
In this assignment, you will take advantage of this by interpreting the FTIR & MS spectra of ten compounds with different functional groups. After completing this assignment, you may wish to select other compounds for additional practice.
1. Write the IUPAC names and draw structures of the ten compounds you selected:
1. _________________
2.__________________
3.__________________
4.__________________
Etc.
2. To obtain the FTIR & MS spectra of these compounds, start Virtual ChemLab and select interpreting IR then MS Spectra from the list of assignments on the whiteboard or click on the Qualitative Analysis bench and click on the Spectra button on the chalkboard.
You should see a list of all the compounds in the spectra library in alphabetical order by IUPAC name. Mousing over a name in the list will show the structure on the chalkboard. The four buttons on side of the list are used to select the different spectroscopic techniques for the selected compound. Make sure the FTIR or MS button has been selected.
3. Using the Up or Down arrows on the Scroll Bar or dragging the Scroll Bar, find the names for the ten compounds you have selected and click on the name to display the FTIR or MS spectrum for each.
Identify the relevant peaks for each of the FTIR spectra and record the position and associated functional group for each in the FTIR tables. For MS interpret molecular fragmentation pattern and out data in the MS tables. You must also include the FTIR and MS spectra of each of the compounds in your report.
Table 1. FTIR of (name of Compound)
List position (cm–1) & functional group 6.
1. 7.
2. 8.
3. 9.
4. 10.
5. etc.
Interpreting FTIR & MS Spectra
Table 1A. MS of (name of Compound)
m/z Peak value & fragmentation group 6.
1. 7.
2. 8.
3. 9.
4. 10.
5. etc.
4. Select two of the compounds from your list and write one discussion section for these two compounds.
This means putting the result into words; discuss all the values form your tables in words and numbers.
5. Convert the discussion into a conclusion. This means only highlighting certain key spectral data that identifies the two compounds you selected in words and values
