Combination Exercises


This section contains exercises, ranging from easy to hard, in which the objective is to find the correct molecular structure based on a combination of spectra (IR, NMR, and mass).

Each exercise offers the spectra in a zip file that can be downloaded. You can then open and process the data in the zip file using an application of your preference. Alternatively, you can download all zip files here in one go.

Under the 'Processing Data' menu step-by-step procedures for opening and processing the different data files in MestReNova 14 are provided.

Technical information

The IR spectra were measured on a Bruker alpha using a diamond ATR, spectral data is stored usin the JCAMP-DX format.

The NMR spectra were measured on a Bruker 300 MHz Avance HD or a Bruker 500 MHz Avance spectrometer. Full acquisition parameters can be retrieved from the data.

The mass spectra were all measured on a Shimadzu QP2010 quadrupole mass spectrometer equipped with an electron ionization source, which operated at an ionization energy of 70 eV. The data are stored as JCAMP-DX files containing a single mass spectrum.