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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.
- About
1 H NMR prediction was possible thanks to the tool of the...
- Predict 1H NMR
NMR Predict. Draw a chemical structure and click on...
- Predict 13C NMR
NMR Predict. Draw a chemical structure and click on...
- Web services
Link your website to predicted 1H, 13C, COSY, HSQC, HMBC NMR...
- Contact
Simulate and predict NMR spectra directly from your...
- Structure elucidation
Simulate and predict NMR spectra directly from your...
- About
This demo will simulate 1 H and 13 C NMR spectra, as well as the mass spectrum parent peak (isotopic distribution), of the molecule you draw in the sketcher. Click the Simulate Spectra button to simulate the spectra when you finish drawing your molecule.
Assign 1H NMR spectra to molecule; 13C NMR; 1H NMR spectra of small molecules; ... IR NMR 1H 13C; EM NMR 1H; GC simulator; IR. IR viewer; Exercises. Browse Spectra; Determine structure; Spectra comparator; First Defender; Mass. ... 9.8 Create and download a ZIP; GSD; 9.16 Decompress zip file;
The 1 H NMR predictor is a machine learning-based predictor for small molecules. The predictor accepts the molecular structure and returns the predicted 1 H chemical shift values in ppm in D2O, CDCL3, DMSO or CD3OD solvent.
A fast online solid-state NMR spectra simulator. ... Download Session. Method. Add a new method. Duplicate selection. Remove selection. Clear all methods. Measurement. Add to selection. Remove from selection. Spin System. Add a new spin system. Duplicate selection. Remove selection.
virtual Chemistry 3D - NMR predictor. 1H NMR Predictor. JSME help. First draw a compound or search in the NCI/CADD database. Once a spectrum has been simulated, a second one can be superimposed (turns out to be very useful for comparison) Note that these spectra are just predictions.
The 1H NMR Spectrum game, the first example of a team-based tabletop game focused on elucidating the structures of organic small molecules using 1 H NMR spectra, was developed and deployed in a 10 college level organic chemistry lecture course and laboratory course.
