By Leonard, John; Lygo, B.; Procter, Garry
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Extra info for Advanced practical organic chemistry, Edition: Third edition
Such discoveries are of potential value to the scientific community through publication in scientific journals. Where new materials or processes are invented, there may also be a commercial value through patenting. In either case, it can be of crucial importance to be able to demonstrate the validity of the experimental results and exactly when the experimental work was carried out. It is vital that laboratory records are dated as they are carried out and that appropriate supporting analytical evidence is collected.
1H NMR spectrum 4. For organic compounds, 1H NMR data is usually the most important piece of characterization data. You should try to analyze the Chapter three: Keeping records of laboratory work 25 spectrum as fully as possible, and the values for every individual proton chemical shift and every coupling constant should be identified if at all possible. Decoupling experiments and two-dimensional NMR experiments will often be required to do this. 1H NMR data is often the most complex to report and so it is important that you record it in an appropriate format as soon as you have analyzed the spectrum.
This may, for example, involve several sets of two-dimensional NMR correlation experiments to determine coupling constants and nuclear Overhauser effect (nOe) experiments to determine through-space interactions. It may be that a derivative of the original compound has to be made to obtain some crucial structural evidence. In some cases, you may even have to resort to x-ray analysis. No matter how simple or lengthy the task of structure determination, you need to collect a full range of spectral data and some evidence of purity to convince the chemical community that you have characterized a “new” Chapter three: Keeping records of laboratory work 23 compound.