13C NMR 1.1

An app to predict 13C NMR spectra with an accuracy of 2.0 ppm (RMSD=3.5 ppm).
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13C NMR is an app that allows users to draw a chemical structure and instantly view its corresponding 13C NMR spectrum. The algorithm is accurate to within 2.0 parts per million (RMSD=3.5 ppm). Features include the ability to draw a structure, recalculate the spectrum while changing the structure, exchange data with other devices via iCloud, print reports, zoom in on the spectrum, and display chemical shift values on the structure.

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