Quickly and accurately predict 1D and 2D NMR spectra, chemical shifts, and coupling constants for 1H, 13C, 15N, 19F, 31P nuclei. The highly accurate algorithms can be further trained with additional user data for customized performance.
With ACD/NMR Predictors, you can predict complete NMR spectra directly from a chemical structure. Simply input a structure from a file or the included ACD/ChemSketch interface, and receive full NMR spectra, chemical shifts, and coupling constants in seconds. Predicted spectra can also be directly compared with experimental data for more efficient structure verification. All NMR Predictors use both HOSE code and neural net algorithms to provide the most accurate chemical shifts in the prediction of spectra, while also taking into account stereochemistry. The software also includes the full processing functionality of ACD/Spectrus Processor, plus the ability to train predictions with your own experimental data. NMR Predictors are available as three distinct packages: Individual purchase of 1H and/or 13C Predictors XNMR Suite—including 15N, 19F, and 31P Predictors NMR Predictor Suite—1D Predictors (1H, 13C, 15N, 19F, and 31P), and 2D Predictors (1H, 13C, and 15N).
Process and interpret all analytical data in one common interface, including NMR, LC/GC/UV/MS, IR, and more. Gain assistance with routine structure verification and access to spectral databases.Place Order
A complete software package to help in the elucidation of unknown structures, providing results in an unbiased fashion. Either use experimental data to carry out a full elucidation resulting in a list of all possible structures that fit the data; or enter a proposed structure and let the software predict the 1D and 2D NMR spectra and propose alternative structures.Place Order
Automate the process of assessing the fit between proposed structure and experimental data, so that only ambiguous or inconsistent structures have to be evaluated manually.Place Order