Developments in NMR Chemical Shift Prediction and Utilization of User Databases to Improve Possibilities for Structure Elucidation

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Intention of ACD/NMR Software Suite

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H1/C13/F19/P31 NMR Spectral Prediction

XNMR Prediction and DBs

Example Prediction for XNMR

XNMR Database Window for F19 and P31

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Assignment by peak, region or auto-assignment

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Full Structure Elucidation

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Future Developments

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Acknowledgments

Free ACD/Chemsketch and NMR Viewer at www.acdlabs.com