NMR Coupling From PPM

Convert NMR peak separation in ppm to J-coupling hertz at a field frequency.

Description

NMR splitting in ppm converts to hertz using the spectrometer frequency in MHz.

NMR splitting in ppm converts to hertz using the spectrometer frequency in MHz. The unit conversion cancels the million-fold frequency factors.^[1]

Convert NMR peak separation in ppm to J-coupling hertz at a field frequency.

When to use NMR Coupling From PPM

Use this tool to convert NMR peak separation in ppm to J-coupling hertz at a field frequency.

Prepare the measured profile, formula counts, upstream model outputs or caller-defined reference criteria requested. Keep paired entries aligned and units, sample basis and preprocessing consistent.

How to use NMR Coupling From PPM and understand its results

Prepare the measured profile, formula counts, upstream model outputs or caller-defined reference criteria requested. Keep paired entries aligned and units, sample basis and preprocessing consistent.
Enter splittingPpm, spectrometerMhz using the field table and calculation rules, then run the tool.
Read couplingHz. The explanation below defines the units, signs, ordering and any flags or placeholder values.
If the tool reports an input issue, correct the values and run it again. Apply the stated assumptions when interpreting a successfully returned result.

Input field	Meaning	Value type; see rules below	Requirement
splittingPpm	Splitting ppm	number	Required
spectrometerMhz	Spectrometer mhz	number	Required

Enter nonnegative splitting and positive instrument frequency. Return coupling in hertz; zero splitting returns zero.

couplingHz=splittingPpm×spectrometerMHz

Units, indexing, boundary conditions and exceptional cases are defined in the calculation rules above.

Output field	Meaning	Value type
couplingHz	Coupling hz	number

json

{
  "input": {
    "splittingPpm": 0.02,
    "spectrometerMhz": 500
  },
  "output": {
    "couplingHz": 10
  }
}

Limitations and assumptions

No multiplet assignment, higher-order analysis or fitted peak spacing is provided.

Numeric inputs must be finite. Follow the calculation-specific rules for overflow, underflow and exceptional cases. Missing required fields, extra fields, wrong value types and violations of the calculation rules are input errors.

Alternative or Complementary methods

Use NMR Reference Offset: Re-reference NMR chemical shifts to observed TMS zero. For a complementary task, use NMR Bucket Integrals: Bin NMR spectral integrals by configurable chemical-shift width.

References

NMR Coupling From PPM — tool.io

Similar or alternative tools

NMR Reference Offset
Re-reference NMR chemical shifts to observed TMS zero.
NMR Bucket Integrals
Bin NMR spectral integrals by configurable chemical-shift width.