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Interpreting NMR Spectra Calculate elements of unsaturation (1/2(2C+2-H), ignore O,

Interpreting NMR Spectra Calculate elements of unsaturation (1/2(2C+2-H), ignore O, halogens count as H’s Count number of signals (equals number of types of H) Check integration to determine ratio of types of H Check splitting to determine connectivity

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Interpreting NMR Spectra Calculate elements of unsaturation (1/2(2C+2-H), ignore O,

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  1. Interpreting NMR Spectra • Calculate elements of unsaturation (1/2(2C+2-H), ignore O, • halogens count as H’s • Count number of signals (equals number of types of H) • Check integration to determine ratio of types of H • Check splitting to determine connectivity • Use chemical shift table to identify types of H • Work out fragments • Assemble fragments, remembering rules of bonding • Check result to make sure it matches formula and number • of types of H.

  2. C3H8 EoU=0 Signal b, 12 units Triplet, 0.91 ppm 2 signals, 2 types of H Ratio is 1:3 or 2:6 a is a septet, so 6 H’s adjacent b is a triplet, so 2 H’s adjacent a is at 1.3 ppm: CH2? b is at 0.9 ppm: CH3? Structure is CH3CH2CH3 Signal a, 4 Units Septet, 1.34 ppm

  3. C4H8O2, EoU=1 3 signals, 3 types of H Ratio is 4:6:6 (or 2:3:3) a is a quartet, adjacent to 3H b is a singlet, adjacent to 0H c is a triplet, adjacent to 2H a at 4.1 ppm, CH2O? b at 2.0 ppm, CH3C=O? c at 1.4 ppm, CH3? Structure is CH3C(O)OCH2CH3 a, quartet 4 units b, singlet 6 units c, triplet 6 units

  4. Magnetic Sector Mass Spectrometer

  5. Important Isotopes

  6. Isotopes in MS

  7. Branched Hydrocarbons The MS for branched saturated hydrocarbons are similar, except certain fragments become more prominent.

  8. IR Spectrometer • Lightsource, sample, wavelength selector, detector • CW and FT

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