Jaconir
Scientific Reference Tool

NMR Chemical
Shift Predictor

Predict expected ¹H NMR chemical shifts using functional groups and molecular environments.

Live prediction · Alcohol

δ 3.5–4.2 ppm

Confidence High
Typical proton adjacent to oxygen.

Workspace

Choose an environment — the prediction updates instantly.

Predicted range

δ 3.5–4.2 ppm

Typical range · Midpoint ≈ 3.84 ppm · Alcohol

Typical proton adjacent to oxygen.

Confidence High
Confidence92%

Prediction confidence is high because this environment closely matches well-established experimental proton NMR ranges.

Visualization

Deshielding
B₀CH*ORe⁻ withdrawalSelected proton H*δ 3.5–4.2 ppm

Why this result

  1. 01The proton is in a alcohol environment. Textbook reference ranges place the characteristic proton(s) near δ 3.3–4.0 ppm.
  2. 02The proton is attached to (or near) carbon adjacent to oxygen. Oxygen withdraws electron density through the inductive effect. This deshields the proton, causing a downfield shift.
  3. 03Hydrogen bonding reduces electron density at the proton (especially OH/NH), shifting the signal downfield and often broadening it.
  4. 04Neighboring C withdraw electron density through the inductive effect, deshielding the observed proton.
  5. 05Weak H-bonding partially deshields the proton (especially exchangeable OH/NH).
  6. 06Typical adjusted range: δ 3.5–4.2 ppm.

Rule adjustments

Neighboring atoms: C +0.05 ppmWeak hydrogen bonding +0.14 ppm

Why not another shift?

  • Why not ~1.2 ppm?

    That region is typical of remote alkyl protons. This environment is not a simple shielded alkane C–H.

  • Why not ~2.2 ppm?

    ≈2.2 ppm usually means α-to-carbonyl, benzylic, or similar mildly deshielded alkyl protons — not this motif.

  • Why not ~7.2 ppm?

    ≈7.2 ppm typically requires aromatic ring current deshielding (or CHCl₃). No arene-like environment is selected.

Chemical shift scale

0 → 12 ppm · highlighted band = current prediction

0 ppm↓12 ppm

Learn & understand

Concepts, side-by-side ranges, and the reference table

Shielding

Electron density around a nucleus reduces the effective magnetic field it feels.

  • In NMR, nuclei are studied in a strong external magnetic field B₀.
  • Surrounding electrons generate a small opposing field — this shields the nucleus.
  • More shielding → resonance at lower frequency → smaller chemical shift (upfield, right on conventional plots).
  • Alkyl protons far from electronegative atoms are relatively shielded (~0.8–1.5 ppm).

Continue your NMR workflow

A path from impurity check → prediction → assignment

  1. 1

    NMR Impurity Solver

    Completed

    Identify common solvent impurities before assigning compound peaks.

  2. 2

    NMR Chemical Shift Predictor

    You are here

    Predict unknown proton environments after removing solvent impurities.

  3. 3

    NMR Splitting Pattern Simulator

    Available

    Understand why peaks split into doublets, triplets and multiplets.

  4. 4

    Peak Assignment Assistant

    Available

    Assign ¹H peaks to atoms with shift, multiplicity, and structure.

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Frequently asked questions