NMR Chemical Shift Formula:
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NMR (Nuclear Magnetic Resonance) chemical shift is expressed in parts per million (ppm) relative to a reference compound. Converting ppm to Hz is essential for comparing spectra from different NMR spectrometers and for precise spectral analysis.
The calculator uses the NMR chemical shift conversion formula:
Where:
Explanation: The formula converts the dimensionless ppm value to an absolute frequency value in Hz, which depends on the magnetic field strength of the specific NMR instrument.
Details: Converting ppm to Hz allows researchers to compare NMR spectra obtained on different instruments, calculate coupling constants accurately, and perform detailed spectral analysis. The Hz values are instrument-dependent, while ppm values are standardized.
Tips: Enter the chemical shift in ppm and the spectrometer frequency in MHz. Both values must be positive numbers. Common NMR frequencies include 60, 100, 200, 300, 400, 500, 600, 700, 800, and 900 MHz.
Q1: Why is chemical shift expressed in ppm?
A: PPM is field-independent, allowing direct comparison of spectra from different NMR instruments regardless of magnetic field strength.
Q2: What are typical NMR spectrometer frequencies?
A: Common frequencies range from 60 MHz (low-field) to 900 MHz (high-field) and higher. Higher frequencies provide better resolution and sensitivity.
Q3: How do I find my spectrometer frequency?
A: The frequency is usually specified by the instrument manufacturer and can be found in the instrument specifications or control software.
Q4: Can I convert Hz back to ppm?
A: Yes, use the formula: PPM = Hz ÷ Spectrometer Frequency (MHz).
Q5: Why are coupling constants reported in Hz?
A: Coupling constants (J-values) are field-independent and therefore reported directly in Hz rather than ppm.