chemical shifts spec.

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Anonymous
ID:
129482
Filename:
chemical shifts spec.
Updated:
2012-01-22 20:56:54
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spectroscopy chemical shifts
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Description:
Chemical shifts in NMR spectroscopy
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  1. Methyl (CH3) without inductive effects
    0.9 ppm
  2. Methylene(CH2) w/o inductive effect
    1.2 ppm
  3. Methine (CH) w/o inductive effect
    1.7 ppm
  4. Oxygen of an alcohol or ether
    + 2.5 ppm to alpha protons
  5. Oxygen of an ester O=CO
    +3 ppm to alpha protons
  6. Carbonyl Group C=O, including ketones, aldehydes, and esters
    +1 ppm
  7. beta protons
    only 1/5 of inductive effect

    if Oxygen adds 2.5 ppm to alpha then it adds 0.5 ppm
  8. Aromatic
    neighborhood of 7 ppm
  9. CH2 in ethylbenzene
    benzene adds 1.4 so shifts to 2.6
  10. Allylic
    about 2 ppm
  11. Alkynyl
    about 2.5 ppm
  12. Aromatic methyl
    about 2.5
  13. Alkyl halide
    about 2-4 ppm
  14. Alcohol
    about 2-5 ppm produces broad signal
  15. Vinylic H
    about 4.5-6.5 ppm
  16. Aryl (off benzene)
    6.5-8 ppm
  17. Aldehyde
    about 10 ppm
  18. Carboxylic acid H
    about 12 ppm
  19. Ethy group
    quartet downfield from a triplet
  20. Isopropyl
    douplet with integration of 6, upfield from septet with integration of 1
  21. Tert- Butyl
    singlet with integration of 9
  22. Complex Splitting
    2 different types of neighbors
  23. Quartet of triplets
    occurs with 2 neighbors, when Jab is much greater than Jbc
  24. triplet of quartets
    when Jbc is greater than Jab
  25. Multiplet
    complex splitting that is difficult to identify
  26. Sextet (complex splitting)
    If Jab and Jba are about equal
  27. C NMR 0-50ppm
    SP3 hybrid, methyl methylene, methine
  28. C NMR 50-100
    SP triple bond

    SP3 with electronegative atoms
  29. C NMR 100-150
    SP2 hybrid C=C
  30. C NMR 150-200
    Carbonyl groups C=O
  31. DEPT 90
    shows only CH
  32. DEPT 135
    shows CH and CH3, shows CH2 upside down

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