2. Empirical Correlations for methylene of the type Y-CH 2 -X by adding  i to the chemical shift of methane;  = 0.23 +  X +  Y

3. substituent constants Z i are added to the chemical shift of ethene;  = 5.28 + Z gem + Z cis + Z trans

4. substituent constants S i are added to the chemical shift of benzene;  = 7.27 + ∑S i

5. First-Order Spin-Spin Coupling As closer the coupling nuclei as better they can interact and as higher is the coupling constant J. The number of bonds between two coupling nuclei is given as a prefix (e.g. a 3-bond coupling constant is given as 3 J).

6. -1/2 +1/2 -1/2

7. Each proton has a unique absorption (chemical shift  ) but this absorption is altered by magnetic nuclei nearby. In 1 H-NMR other protons but also any other magnetic nuclei such as deuterium, 13 C, 19 F, and 31 P. First-order coupling is found for absorptions that satisfy  J > 10 and any pair of chemically equivalent nuclei must also be magnetically equivalent.

8. Pascal’s triangle

9. C-H sees CH 2 protons CH 2 sees C-H proton (+1, 0, -1)(+1/2, -1/2)

11. Typical A 2 X 3 ethyl pattern quartet triplet H-coupling in ethylbenzene

12. H-coupling and Integration (isopropylbenzene)

13. 1 H-NMR of Ethanol in CDCl 3 Rapid exchange of OH: do not see coupling CH 3 CH 2 OH

14. 1 H-NMR of Ethanol in DMSO CH 3 CH 2 OH No exchange

15. Doublet of Quartets CH 3 CH 2 OH Methylene group couples to OH and CH 3 ; 3 J(CH 2 -OH) and 3 J(CH 3 -CH 2 )

16. Benzyl Acetate Integration 5:2:3 At high resolution see multiplet