13C Chemical Shift Increments (ppm) for Substituted Alkanes
C Chemical Shift Increments (ppm) for Substituted Alkanes
| Substituent | α | β | γ |
|---|---|---|---|
| alkyl carbon (sp3) | 9.1 | 9.4 | -2.5 |
| -C=C- (sp2) | 19.5 | 6.9 | -2.1 |
| -C≡C- (sp) | 4.4 | 5.6 | -3.4 |
| C6H5 | 22.1 | 9.3 | -2.6 |
| F | 70.1 | 7.8 | -6.8 |
| Cl | 31.0 | 10.0 | -5.1 |
| Br | 18.9 | 11.0 | -3.8 |
| I | -7.2 | 10.9 | -1.5 |
| OH, OR | 49.0 | 10.1 | -6.2 |
| -C(O)OR | 56.5 | 6.5 | -6.0 |
| NH2, NHR, NR2 | 28.3 | 11.3 | -5.1 |
| NO2 | 61.6 | 3.1 | -4.6 |
| CHO | 29.9 | -0.6 | -2.7 |
| C(O)R | 22.5 | 3.0 | -3.0 |
| C(O)OH | 20.1 | 2.0 | -2.8 |
| C(O)OR | 22.6 | 2.0 | -2.8 |
| CONR2 | 22.0 | 2.6 | -3.2 |
| CN | 3.1 | 2.4 | -3.3 |
Reference: D.W. Brown, J. Chem. Educ., 62, 209 (1985); E. Pretsch, T. Clerc, J. Seibl, and W. Simon, "Tables of Spectral Data for Structure Determination of Organic Compounds," Springer-Verlag, NY, 1983, p. C90.