Proton NMR Prediction Tool
Predict 1H NMR chemical shifts, splitting patterns, integrations, and proton environments from structure input. The prediction engine is being prepared now, but this page is live for students searching Google for proton NMR prediction, 1H NMR predictor, NMR splitting prediction.
Prediction Input
What the 1H NMR predictor will show
The live tool will estimate proton environments, chemical shift ranges, integration, multiplicity, neighboring proton counts, and likely assignment notes.
Google Search Input
This page is structured around common Google search inputs students use: compound name, formula, SMILES, solvent, instrument frequency, and NMR type. The live predictor will accept those fields directly.
Common Proton NMR Shift Ranges
| Environment | Typical Range | Notes |
|---|---|---|
| Alkyl H | 0.8-2.0 ppm | Often multiplets near sp3 carbons |
| Allylic / benzylic H | 1.7-3.0 ppm | Shifted by pi systems |
| H next to heteroatom | 3.0-4.5 ppm | O, N, halogen deshielding |
| Alkene H | 4.5-6.5 ppm | sp2 proton region |
| Aromatic H | 6.0-8.5 ppm | benzene-ring environments |
| Aldehyde H | 9.0-10.5 ppm | distinct downfield singlet/doublet |
How Proton NMR Prediction Will Work
The planned workflow is simple: enter a compound name, formula, or SMILES string, choose the NMR experiment settings, and receive an annotated prediction. The result will include likely peaks, environment labels, and explanations that help students connect spectra to structure.
Until the live prediction model is released, use the reference ranges above to estimate where common organic environments appear. Real spectra may shift with solvent, concentration, hydrogen bonding, conjugation, stereochemistry, and instrument conditions.