| dH = 7.27 + Sdi | |||
|
|||
| Substituent (R) | dortho | dmeta | dpara |
| -alkyl | -0.14 | -0.06 | -0.17 |
| -CH2OH | -0.07 | -0.07 | -0.07 |
| -CHO | 0.56 | 0.22 | 0.29 |
| -C(O)R | 0.62 | 0.14 | 0.21 |
| -CO2H | 0.85 | 0.18 | 0.27 |
| -CO2R | 0.71 | 0.10 | 0.21 |
| -CN | 0.23 | 0.78 | 0.58 |
| -OH | -0.56 | -0.12 | -0.45 |
| -OCH3 | -0.48 | -0.09 | -0.44 |
| -OC(O)R | -0.25 | 0.03 | -0.13 |
| -NH2 | -0.75 | -0.25 | -0.65 |
| -NR2 | -0.66 | -0.18 | -0.67 |
| -NHC(O)R | 0.12 | -0.07 | -0.28 |
| -NO2 | 0.95 | 0.26 | 0.38 |
| -F | -0.26 | 0.00 | -0.04 |
| -Cl | 0.03 | -0.02 | -0.09 |
| -Br | 0.18 | -0.08 | -0.04 |
| -I | 0.39 | -0.21 | 0.00 |
| -SiR3 | 0.90 | 0.90 | 0.60 |
| -SR | 0.22 | -0.02 | -0.02 |
| -SR | 0.37 | 0.20 | 0.10 |
 |
|
| dH1 = 7.27 + 0.71 | = 7.98 ppm |
| Observed: | 8.03 ppm |
| dH2 = 7.27 + 0.10 | = 7.37 ppm |
| Observed: | 7.42 ppm |
| dH3 = 7.27 + 0.21 | = 7.48 ppm |
| Observed: | 7.53 ppm |
 |
|
| dH1 = 7.27 + 0.03 + 0.26 | = 7.56 ppm |
| Observed: | 7.50 ppm |
| dH2 = 7.27 + 0.95 - 0.02 | = 8.20 ppm |
| Observed: | 8.20 ppm |
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