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Predicting n+1 Spectra

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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Predicting n+1 Spectra

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  1. Predicting n+1 Spectra

  2. 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

  3. Predicting Spectra • Step 1: Identify number of signals

  4. Predicting Spectra • Step 2: Table of data

  5. Predicting Spectra • Step 3: Draw spectrum

  6. Practice • Make problems for yourself: ChemDraw • Don’t do chiral compounds

  7. 6H, d 5H, multiplet 2H, doublet 1H, multiplet

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