Jaconir
Jaconir NMR Lab

NMR Splitting
Pattern Simulator

Visualize proton NMR splitting patterns, Pascal's Triangle and J-coupling in real time.

SingletDoubletTripletQuartetQuintetSextetMultiplet

¹H splitting spectrum

Singlet · J = 0.0 Hz · 400 MHz

Width 0.0 Hz (0.000 ppm)

-12-60+6+12Relative frequency / Hz1

Workspace

Adjust neighbours and J — the spectrum updates instantly.

¹H splitting spectrum

Triplet · J = 7.0 Hz · 400 MHz

Width 14.0 Hz (0.035 ppm)

-13-70+7+13Relative frequency / Hz121

Pattern

Triplet

Number of peaks

3

Intensity ratio

1:2:1

Pascal row

2

J coupling

7.0 Hz

Expected appearance

Triplet

Pascal's Triangle

Row n = intensities for n neighbouring protons (n+1 peaks)

1
11
121
1331
14641
15101051
1615201561

Why is this a Triplet?

2 neighbouring equivalent protons split the signal into 3 equally spaced peaks according to the n+1 rule. Relative intensities follow Pascal's Triangle (1:2:1).

Common examples

Challenge Me

Identify the splitting

Pattern · neighbouring protons · Pascal ratio · approximate J

¹H splitting spectrum

Identify the pattern

-28-140+14+28Relative frequency / Hz

Learn & understand

Visual concepts behind first-order proton splitting

What is the n+1 rule?

For first-order ¹H spectra, a proton with n equivalent neighbouring protons is split into n+1 lines. Zero neighbours → singlet; one → doublet; two → triplet.

Why do peaks split?

Neighbouring nuclear spins create tiny additional magnetic fields. The observed nucleus experiences slightly different fields depending on neighbour spin states — hence multiple resonances.

What is J coupling?

J is the coupling constant in hertz — the spacing between adjacent lines of a multiplet. It is field-independent (Hz stay the same at 300 or 800 MHz; ppm spacing shrinks at higher field).

Equivalent protons

Only chemically equivalent neighbours are counted together in the simple n+1 rule. Non-equivalent neighbours produce more complex patterns (dd, td, …).

Pascal's Triangle

Relative line intensities of first-order multiplets are the binomial coefficients from Pascal's Triangle: 1 · 1:1 · 1:2:1 · 1:3:3:1 · …

First-order splitting

First-order means Δδ ≫ J (chemical-shift difference much larger than coupling). Lines are equally spaced and intensities match Pascal ratios.

Second-order effects

When Δδ approaches J, multiplets distort (roofing). Intensities skew and the simple n+1 picture fails — use simulation software for analysis.

Common mistakes

Counting OH as a fixed neighbour, ignoring exchange, treating aromatic multiplets as first-order, and confusing Hz with ppm are the most frequent student errors.

Advanced topics

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

    Completed

    Predict unknown proton environments after removing solvent impurities.

  3. 3

    NMR Splitting Pattern Simulator

    You are here

    Understand why peaks split into doublets, triplets and multiplets.

  4. 4

    Peak Assignment Assistant

    Coming soon

    Assign peaks to molecular structures.

Related instruments

More free browser-based chemistry tools

Full library

Frequently asked questions