Pauli GF, Chen SN, Simmler C, Lankin D, Goedecke T, Jaki B, Friesen JB, McAlpine J, Napolitano J
The Importance of Purity Evaluation and the Potential of Quantitative 1H NMR as a Purity Assay
Journal of Medicinal Chemistry 57: 9220-9231 (2014)
As outlined in the JMC publication, there are four main qHNMR methods according to the type of quantitative calibration:
The concepts and steps required for qHNMR calculations, such as determinations of sample purity, depend on the calibration/qHNMR method used. The following download section of this site provides detailed guidance for the calculations of all four methods mentioned above in the form of pre-formatted spreadsheets, which are made available for educational and academic purposes. The spreadsheets are fully annotated with step-by-step guidance and contain sample data from the above JMC publication.
The spreadsheets are made available for educational and academic purposes under a Creative Commons license, under the conditions stated in each spreadsheet. Please read and follow the 'License and Disclaimer' page of the spreadsheets.
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