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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
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Contact - Simulate and predict NMR spectra
- Structure elucidation
Structure elucidation - Simulate and predict NMR spectra
- Simulate and Predict NMR
Predict 1H proton NMR spectra directly from your webbrowser...
- Predict 1H proton NMR spectra
Predict 1H proton NMR spectra - Simulate and predict NMR...
- About
Draw a molecule or upload a molfile and get a predicted spectrum based on "Spinus" algorithm. No JAVA required, works on any device and browser, also simulates second order effects.
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 ...
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.
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 D 2 O, CDCL 3, DMSO or CD 3 OD solvent. Add the structure of your natural product by pasting a SMILES or InChI string into the MarvinJS structure drawing ...
Predict 1D (proton and carbon) and 2D NMR (COSY, HSQC and HMBC) spectra from your browser.
Predict 1H NMR spectra. NMR. Exercises. 4.1 Find the structure from 1H NMR spectrum. 3. Assign 1H NMR spectra to molecule. 4. Find the structure from simple 1H NMR spectrum. 5. 1H NMR spectra of small molecules.
