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Predicting n+1 Spectra. Same Material, Two Skills. Predicting proton spectra: given a structure, what will the proton NMR look like? Useful in synthesis of known target A little more straightforward Interpreting proton spectra: given a spectrum, what is the structure of compound

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same material two skills
Same Material, Two Skills
  • Predicting proton spectra: given a structure, what will the proton NMR look like?
    • Useful in synthesis of known target
    • A little more straightforward
  • Interpreting proton spectra: given a spectrum, what is the structure of compound
    • Identify an unknown; side products in synthesis
    • More experience needed
predicting spectra
Predicting Spectra
  • Step 1: Identify number of signals
predicting spectra1
Predicting Spectra
  • Step 2: Table of data
predicting spectra2
Predicting Spectra
  • Step 3: Draw spectrum
practice
Practice
  • Make problems for yourself: ChemDraw
  • Don’t do chiral compounds
slide7

6H, d

5H, multiplet

2H, doublet

1H, multiplet

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