Experimental NMR chemical shifts from Kuhn S. and Schlörer, N. E (2015)

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Muellers, Tobias, 2026, "Experimental NMR chemical shifts from Kuhn S. and Schlörer, N. E (2015)", https://doi.org/10.60600/YU/LAF3FO, Yale Dataverse, V1
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Description
This entry points to the dataset used to obtain experimental NMR chemical shifts: https://sourceforge.net/projects/nmrshiftdb2/files/data/
Subject Chemistry
Related Publication Cites: https://sourceforge.net/projects/nmrshiftdb2/files/data/url: https://sourceforge.net/projects/nmrshiftdb2/files/data/
Notes Related original citations: Kuhn, S., and Schlörer, N.E. (2015). Facilitating quality control for spectra assignments of small organic molecules: nmrshiftdb2 – a free in-house NMR database with integrated LIMS for academic service laboratories. Magn. Reson. Chem. 53, 582–589. https://doi.org/10.1002/mrc.4263. Steinbeck, C., Krause, S., and Kuhn, S. (2003). NMRShiftDB-Constructing a Free Chemical Information System with Open-Source Components. J. Chem. Inf. Comput. Sci. 43, 1733–1739. https://doi.org/10.1021/ci0341363. Kuhn, S., Kolshorn, H., Steinbeck, C., and Schlörer, N. (2024). Twenty years of nmrshiftdb2: A case study of an open database for analytical chemistry. Magnetic Reson in Chemistry 62, 74–83. https://doi.org/10.1002/mrc.5418.
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