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Why did you choose the spectra that appear on this site?

The spectra are for compounds that have featured in UK A level examination papers over the last few years.

They show the sorts of feature that A level Chemistry students need to understand and be able to explain.

Why did you vectorise the infra red spectra?

The raw images from the SDBS database appear to be scans of paper printouts that are not of especially high resolution by modern standards.

By converting the spectral curves from GIF to SVG format and redrawing the axes completely the resulting spectrum can be drawn on any size display and not show the effects of pixellation.

How did you vectorise the infra red spectra?

The infra red spectra were vectorised using the DragPotrace application on an Apple Mac computer. DragPotrace is a GUI front end to the Potrace utility.

Why did you simulate the NMR spectra?

The raw images from the SDBS database appear to be scans of paper printouts that are not of especially high resolution by modern standards.

By simulating the spectra as vector data and redrawing the axes completely the resulting spectrum can be drawn on any size display and not show the effects of pixellation.

With a simulated spectrum one can more easily home-in on the interesting features rather than having to display the full width spectrum found in the database.

How did you simulate the NMR spectra?

The NMR spectra were simulated by drawing Bezier curves on an HTML canvas that approximate the appearance of the singlet, doublet, triplet and other multiplet features found in NMR spectra. A small amount of random information was added to the height of each peak in the spectrum to make it appear less artificial.

What are the code numbers for?

The code numbers are to allow a Chemistry teacher to show a spectrum to their students without immediately giving away the name of the compound being shown.

The idea is to allow the teacher to lead the students through an analysis of the spectrum providing additional information (e.g. molecular formula, structural formula and other clues) at a speed that suits the abilities and experience of the students.

Once the teacher has finished explaining the spectrum, the full assignment can be shown.

May I download the images to use in my handouts and presentations?

The spectra are not actually stored as downloadable images as such, but yes you may "download" them by taking a screenshot of the relevant page.

However, I hope you will find the "live" versions of the spectra useful as well.

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