Proton NMR Prediction Tool
Predict 1H NMR chemical shifts, splitting patterns, integrations, and proton environments from structure input. Use this reference guide to understand chemical shift ranges, common environments, and the evidence students combine before assigning an NMR spectrum.
Use the Shift Ranges First
Until the predictor launches, compare the table below with your spectrum and combine chemical shift, integration, splitting, and molecular formula.
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.
Reference Scope
The reference material focuses on compound name, formula, SMILES, solvent, instrument frequency, and NMR type because those details affect chemical shift interpretation.
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 final tool 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.