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

-18-90+9+18Relative 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

    Available

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

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Frequently asked questions

What is the n+1 rule?

In first-order ¹H NMR, a nucleus with n equivalent neighbouring protons appears as n+1 lines. The intensities follow Pascal's Triangle (binomial coefficients).

What is J coupling?

J is the spin–spin coupling constant, measured in hertz. It equals the spacing between adjacent lines of a first-order multiplet and does not change with spectrometer field strength.

Why are intensities unequal?

For first-order multiplets they are unequal by design: Pascal ratios (1:1, 1:2:1, 1:3:3:1, …) reflect how many spin combinations produce each line.

Why doesn't every peak follow n+1?

Non-equivalent neighbours, second-order effects (Δδ ≈ J), exchange broadening, and overlapping signals produce patterns that are not simple n+1 multiplets.

What is a multiplet?

A multiplet (m) is a group of unresolved or complex lines. This simulator labels n ≥ 7 as multiplet while still showing the first-order envelope.

Does field strength affect splitting?

J in hertz is field-independent. The same multiplet spans fewer ppm at higher field (ppm = Hz / MHz), which often makes spectra look more first-order.

Why are some peaks broad?

Exchange (OH/NH), unresolved small couplings, viscosity, and shimming can broaden lines. Use the peak-width control to explore appearance.

What is first-order splitting?

When the chemical-shift difference (in Hz) is much larger than J, multiplets are symmetric with Pascal intensities — the regime this tool models.

What is a doublet of doublets?

Two different coupling constants to two non-equivalent neighbours give four lines. It is not the same as a Pascal quartet (1:3:3:1).

How do I measure J from a spectrum?

Convert the frequency difference between adjacent multiplet lines to hertz (or read Hz cursors in your processing software). Do not report J in ppm.

Are OH and NH counted in n?

Often no — exchangeable protons may not show stable coupling. Context (dry solvent, temperature, concentration) matters.

Is this tool AI-based?

No. All patterns are computed from the classical n+1 rule and Pascal's Triangle entirely in your browser.

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