Table 3.
Chemical Group Structure | Chemical Shirt (ppm) |
Calculation | |||||||||
---|---|---|---|---|---|---|---|---|---|---|---|
20%BPF | PF | ||||||||||
0 | 120 | 240 | 480 | 960 | 0 | 120 | 240 | 480 | 960 | ||
C=O form aldehydes/ketones | 220–200 | 0.98 | 1.08 | 1.11 | 1.19 | 1.24 | 0.85 | 1.10 | 1.26 | 1.37 | 1.32 |
C=O from carboxylic acids | 186–176 | 0.09 | 0.14 | 0.23 | 0.26 | 0.30 | 0.02 | 0.02 | 0.03 | 0.12 | 0.18 |
C=O from esters | 176–168 | 0.05 | 0.05 | 0.12 | 0.17 | 0.16 | 0.01 | 0.01 | 0.02 | 0.09 | 0.14 |
Phenolic carbon | 160–148 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 | 1.00 |
Substituted ortho and para aromatic carbons | 137–123 | 4.19 | 4.52 | 4.29 | 4.26 | 4.20 | 4.21 | 4.43 | 4.31 | 4.22 | 4.07 |
Dimethylene ether bridges | 75–65 | 0.56 | 0.68 | 0.71 | 0.50 | 0.48 | 0.20 | 0.46 | 0.26 | 0.18 | 0.24 |
Methylol groups | 63–58 | 0.32 | 0.54 | 0.43 | 0.33 | 0.27 | 0.19 | 0.36 | 0.25 | 0.20 | 0.23 |
Benzylamines | 58–45 | 0.53 | 0.88 | 0.91 | 1.11 | 1.20 | 0.56 | 1.06 | 0.89 | 0.96 | 0.74 |
Methylene bridges | 45–29 | 2.27 | 2.40 | 2.36 | 2.27 | 2.10 | 2.17 | 2.38 | 2.29 | 2.16 | 2.03 |