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Simulate and predict NMR spectra directly from your webbrowser using standard HTML5. You can also simulate 13C, 1H as well as 2D spectra like COSY, HSQC, HMBC. Second order effect like AB, ABX, AA'XX' can be simulated as well.
- Tools
Simulate and predict NMR spectra directly from your...
- Tools
Simulate and predict NMR spectra directly from your webbrowser using standard HTML5. You can also simulate 13C, 1H as well as 2D spectra like COSY, HSQC, HMBC. Second order effect like AB, ABX, AA'XX' can be simulated as well.
Find the structure from 1H spectrum. 1H exercise generator. Assign 1H NMR spectra to molecule. 13C NMR. 1H NMR spectra of small molecules. 1H NMR spectra of Boc amino acids. Number of different Hs. 1H NMR integrate and find the structure. 1H number of signals.
The 13 C NMR predictor is a machine learning-based predictor for small molecules. The predictor accepts the molecular structure and returns the predicted 13 C chemical shift values in ppm in D2O, CDCL3, DMSO or CD3OD solvent. Add the structure of your natural product by pasting a SMILES or InChI string into the MarvinJS structure drawing applet ...
Predict 1D (proton and carbon) and 2D NMR (COSY, HSQC and HMBC) spectra from your browser.
nmrshiftdb2 is a NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction ( 13 C, 1 H and other nuclei) as well as for searching spectra, structures and other properties.
Predict a complete set of 1D and 2D NMR spectra, for 1 H, 13 C, 15 N, 19 F, and 31 P nuclei from a chemical structure. Calculate chemical shifts and coupling constants in seconds. Train the algorithms with in-house data to improve accuracy for novel chemical space.
