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Predicting and Interpreting Proton NMR Spectra for Organic Compounds

This guide provides insights into predicting and interpreting proton NMR spectra, essential skills for organic chemists. It covers key steps for predicting spectra from molecular structures, including identifying the number of signals, creating data tables, and drawing spectra. It also discusses interpreting spectra to deduce compound structures, useful in synthesizing known targets and identifying unknowns or side products. The progression from prediction to practical problem-solving (using tools like ChemDraw) is emphasized, while caution is advised against complex chiral compounds.

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Predicting and Interpreting Proton NMR Spectra for Organic Compounds

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Presentation Transcript

  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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