A chemistry tool for calculating impurities within NMR spectra
Determining the actual yield from an NMR spectrum is tedious and can be automated. Therefore, I created this tool which allows chemists - like myself - to analyze their purity of NMR spectra fast and easy.
The website provides a collection of preselected impurities, but is flexible to allow for custom impurities like starting materials.
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The first step in using this tool is to be sure 1 product proton (H) in the NMR spectrum correspond to an integral of 1.00.
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Next, on the website the user supplies the product mass and a question will appear asking for any impurities.
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Add impurities, the modal will present the user with a drop-down menu of options to choose from preselected compounds. The user is also prompted to supply the integral of the found impurity.
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Lastly, the product and impurities are displayed together with their corresponding mass- and mol%.
This project is made with VueJS and the Vue-CLI tool, available from https://vuejs.org/.
A running demo can be found at https://nmrpurity.netlify.app