ChemrytNMR
Browser-side structure validation, carbon shift prediction, and lightweight spectrum rendering.
Prediction Mode
Single Molecule keeps the original ChemrytNMR workflow. Multi-Molecule Sample lets you assemble a known mixture, assign relative ratios, and review both combined and molecule-wise predictions.
Examples: `CCO`, `CC(=O)OC1=CC=CC=C1C(=O)O`, `CCN(CC)CC`. In Multi-Molecule Sample mode, you can also paste one SMILES per line and use bulk import.
Draw or paste a molecule, assign sample metadata, then add it to the mixture.
Manage included molecules, ratios, and quick edits before running a sample prediction.
No molecules have been added to the sample yet.
No structure loaded yet.
Control how the combined sample spectrum and molecule overlays are displayed.
Predicted peaks will appear here after you run a calculation.
Quick mixture-oriented reading aids based on predicted overlaps and signal density.
| Atom Index | Shift (ppm) | Type | Notes |
|---|---|---|---|
| No prediction yet. | |||
Expand a molecule to inspect its individual predicted peaks and contribution to the combined sample spectrum.
Molecule-specific details will appear here after running a sample prediction.