| dH = 5.25 + dgem + dcis + dtrans | |||
|
|||
| Substituent (R) | dgem | dcis | dtrans |
| -alkyl | 0.44 | -0.26 | -0.29 |
| -alkyl (ring) | 0.69 | -0.25 | -0.28 |
| -CH2OR | 0.67 | -0.02 | -0.07 |
| -CH2NR2 | 0.58 | -0.10 | -0.08 |
| -CH2X | 0.70 | 0.11 | -0.04 |
| -C=C | 1.00 | -0.09 | -0.23 |
| -C6H5 | 1.35 | 0.37 | -0.10 |
| -CHO | 1.02 | 0.95 | 1.17 |
| -C(O)R | 1.10 | 1.13 | 0.81 |
| -CO2H | 1.00 | 1.35 | 0.56 |
| -CO2R | 0.84 | 1.15 | 0.56 |
| -CN | 0.23 | 0.78 | 0.58 |
| -OR | 1.18 | -1.06 | -1.28 |
| -OC(O)R | 2.09 | -0.40 | -0.67 |
| -NR2 | 0.69 | -1.19 | -0.31 |
| -NO2 | 1.87 | 1.30 | 0.62 |
| -F | 1.54 | -0.40 | -1.02 |
| -Cl | 1.00 | 0.19 | 0.03 |
| -Br | 1.04 | 0.40 | 0.55 |
| -I | 1.14 | 0.81 | 0.88 |
| -SiR3 | 0.90 | 0.90 | 0.60 |
| -SR | 1.11 | -0.29 | -0.13 |
| -SO2R | 1.55 | 1.16 | 0.93 |
 |
|
| dH1 = 5.25 - 0.67 | = 4.58 ppm |
| Observed: | 4.55 ppm |
| dH2 = 5.25 + 2.09 | = 7.34 ppm |
| Observed: | 7.25 ppm |
| dH3 = 5.25 - 0.40 | = 4.85 ppm |
| Observed: | 4.85 ppm |
 |
|
| dH1 = 5.25 + 0.56 | = 5.81 ppm |
| Observed: | 5.82 ppm |
| dH2 = 5.25 + 0.84 | = 6.09 ppm |
| Observed: | 6.14 ppm |
| dH3 = 5.25 + 1.15 | = 6.40 ppm |
| Observed: | 6.42 ppm |
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