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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
Web services - Simulate and predict NMR spectra
- Contact
Contact - Simulate and predict NMR spectra
- Structure elucidation
Structure elucidation - Simulate and predict NMR spectra
- 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.
NMR. Exercises. 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; 1H NMR basic structure assignment; Tools. Multiplet simulator ...
Predict 1D (proton and carbon) and 2D NMR (COSY, HSQC and HMBC) spectra from your browser.
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.
A fast online solid-state NMR spectra simulator. File. New Document. Open... 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.
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.
