Estimate 1H and 13C NMR chemical shifts for common functional groups and predict chemical shift ranges from molecular environment.
| Constant | Symbol | Value |
|---|---|---|
| Speed of light | c | 2.99792458×10⁸ |
| Planck's constant | h | 6.62607015×10⁻³‴ |
| Boltzmann constant | kʙ | 1.380649×10⁻²³ |
| Avogadro's number | Nₐ | 6.02214076×10²³ |
| Gravitational constant | G | 6.6743×10⁻¹¹ |
| Gas constant | R | 8.31446 |
| Elementary charge | e | 1.602176634×10⁻¹⁹ |
| Electron mass | mₑ | 9.1093837015×10⁻³¹ |
| Proton mass | mₚ | 1.67262192369×10⁻²⁷ |
| Fine-structure constant | α | 7.2973525693×10⁻³ |
Estimate 1H and 13C NMR chemical shifts for common functional groups and predict chemical shift ranges from molecular environment
Each component has a specific meaning:
Note: Interpret the nmr chemical shift result against the clinical thresholds and context described above.
Enter the molecular environment for the patient or scenario you are assessing. Estimate 1H and 13C NMR chemical shifts for common functional groups and predict chemical shift ranges from molecular environment. Use the nmr chemical shift result to inform your clinical assessment.