Visually compare the predicted and the experimental NMR spectra in the same screen for more efficient structure verification. In addition to providing the industry's most accurate NMR prediction, NMR predictors include a complete set of tools for processing and interpreting the analytical data in a vendor neutral environment.
Read more. From experimental design to data interpretation, NMR predictors can significantly speed up your workflow. ChemOffice Enterprise. Formulations E-Notebook.
Oracle Cartridge. Professional Services. Connector for SAP. Inventory Enterprise. Registration Enterprise. Courtesy Wayne Boucher. It reads 1D, 2D, 3D and 4D spectra coming from many spectrometers and its feature list is comparable to those of commercial packages". Giuseppe Balacco. V - an interactive software system for MR signal processing. Dedicated tools along with a well organized database allow for efficient assignment. Custom applications can be developed with scripts.
Prediction of chemical shifts of other nuclides is also available. Easily combine and compare experimental and predicted data as part of your workflow. A plugin integrated in Mnova separate license. No extra installer is required. The first one is a chemical shift prediction orientated database. It consists of a one dimensional coding of the chemical environment of each carbon atom.
The HOSE code approach works very well for query structures that are well represented in the reference collection. Starting from the atom of interest, all atoms bonded directly to this atom first sphere , over two bonds second sphere — and so on — are coded using characters which define atom types, bond types, ring closures, and spheres.
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