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Checklists

MS Checklist

  • Look for \(M^+\) (though you might not find it)
  • Look for isotope pattersn
    • e.g. Br (1:1), Cl (3:1)
  • Look for obvious fragments
    • Heavy elements
    • Aromatic rings - Ph at 77, Toluene at 91
    • Hydrocarbon fragments - \(\ce{xCH3}\) at \(x15\)
  • If they’re big peaks try and identify them
  • Is \(M^+\) odd or even (nitrogen rule)
  • Degree of unsaturation

FTIR Checklist

  • Look for functionality in the molecule
    • Look for specific bond types - \(\ce{OH}\), \(\ce{NH}\), \(\ce{CH}\), \(\ce{C=O}\), \(\ce{C#C}\) etc.
    • What type of \(\ce{C=O}\) is it (use tables)
    • Don’t dwell too much

\(\cnmr\) Checklist

  • Is it coupled or decoupled
  • What solvent is it in, can you see the solvent peak?
  • How many \(\ce{^13C}\) environments are there?
  • Are there any characteristic shifts - e.g. \(\ce{C=O}\:\alpha\) carbon

\(\hnmr\) Checklist

  • What solvent is it in, can you see the solvent peak?
    • How many peaks are there?
    • What are the splitting patterns?
    • What are the peak areas?
    • Where are the peaks? Is there obvious functionality?