• NMR
    • Exercises
      • 3. Find the structure from predicted 1H NMR
      • 2.5 Assign 1H NMR spectra to molecule
      • 4. Find the structure of experimental 1H NMR
      • 6. 1H NMR spectra of Boc amino acids
      • 1. Number of different Hs
      • 5. 1H NMR integrate and find the structure
      • 2 1H number of signals
      • 7. Integrated: EM, IR and NMR 1H
    • Tools
      • Multiplet simulator
      • Browse spectra
      • Simulation - Second order effect
      • Diastereotopic atoms
      • 1H Prediction
  • IR
    • IR spectra prediction
    • Browse Spectra
    • Exercise: determine structure from IR spectrum
  • Mass
    • 2. Tool: MF from monoisotopic mass
    • 3. Peptide and nucleotide fragmentation (For info)
    • 10. Exercise: Determine charge
    • 11. Exercise: Isotopic distribution
    • 12. Exercise: Monoisotopic mass
    • 13. Exercise: MF Determination by mass
    • 1. Tool: Information from MF or structure
  • PDB
    • JSmol
    • PDB Viewer
    • PDB Selector
  • Unsaturation
    • From structure
    • From MF
    • Isomer generator
    • Isomères de structure