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sci.nmr-chemical-shift Calculator
Calculates NMR chemical shift in ppm from resonance frequency and spectrometer reference, and predicts shifts from functional group contributions. ¹H NMR shifts: TMS = 0 ppm (reference); alkyl CH ≈ 0.5–2 ppm; aromatic ≈ 6.5–8 ppm; aldehyde ≈ 9–10 ppm.
Inputs
Observed Frequency Hz
Cycles per second (Hz). Audible sound: 20 Hz – 20 kHz. Make sure units match what the formula expects.
Spectrometer Mhz
Cycles per second (Hz). Audible sound: 20 Hz – 20 kHz. Make sure units match what the formula expects.
Reference Shift Ppm
Reference formula or conversion factor shown for context.
Results
chemical shift delta (ppm)
The change (final minus initial) in the quantity.
shift region
Sample size or count used in the calculation.
spectrometer field
Reference formula or conversion factor shown for context.
ppm = Hz / MHz(field)
Reference formula or conversion factor shown for context.