Average chemical shift: 130.722
Standard deviation: 1.321
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
4248 | 10 | CE1 | 135.60 | 3 |
11080 | 73 | CE1 | 136.916 | 3 |
16590 | 19 | CE1 | 139.048 | 3 |
16590 | 40 | CE1 | 138.885 | 3 |
16683 | 83 | CE1 | 137.060 | 1 |
16909 | 26 | CE1 | 135.036 | 1 |
16989 | 49 | CE1 | 139.018 | 3 |
17074 | 115 | CE1 | 139.560 | 3 |
18169 | 16 | CE1 | 135.772 | 3 |
18355 | 5 | CE1 | 135.339 | 1 |
18355 | 66 | CE1 | 135.339 | 1 |
18455 | 9 | CE1 | 137.816 | 3 |
18864 | 73 | CE1 | 136.916 | 3 |
19007 | 65 | CE1 | 144.992 | 1 |
19155 | 83 | CE1 | 134.904 | |
19625 | 43 | CE1 | 138.48 | 3 |
19852 | 161 | CE1 | 137.886 | 1 |
25240 | 52 | CE1 | 135.193 | 1 |
25554 | 161 | CE1 | 137.886 | 1 |
34131 | 46 | CE1 | 135.854 | 1 |
34216 | 117 | CE1 | 149.609 | |
34773 | 126 | CE1 | 137.519 | |
50804 | 49 | CE1 | 136.864 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
4150 | 68 | CE1 | 52.518 | |
4150 | 76 | CE1 | 51.495 | |
4150 | 81 | CE1 | 51.321 | |
4215 | 104 | CE1 | 126.400 | 1 |
4368 | 19 | CE1 | 90.40 | 3 |
4368 | 31 | CE1 | 89.70 | 3 |
4368 | 60 | CE1 | 91.30 | 3 |
4565 | 40 | CE1 | 117.44 | 3 |
4670 | 82 | CE1 | 125.5 | |
4712 | 77 | CE1 | 117.50 | 3 |
4803 | 56 | CE1 | 119.8 | 1 |
4804 | 56 | CE1 | 119.8 | 1 |
5131 | 14 | CE1 | 118.720 | 3 |
5179 | 19 | CE1 | 83.720 | |
5179 | 32 | CE1 | 82.620 | |
5179 | 35 | CE1 | 70.420 | |
5179 | 69 | CE1 | 84.120 | |
5224 | 24 | CE1 | 126.5 | 1 |
5337 | 8 | CE1 | 125.03 | 1 |
5678 | 107 | CE1 | 116.9 | 1 |
5678 | 119 | CE1 | 117.1 | 1 |
5678 | 147 | CE1 | 116.5 | 1 |
5678 | 148 | CE1 | 116.7 | 1 |
5678 | 62 | CE1 | 116.9 | 1 |
5798 | 42 | CE1 | 124.2 | 2 |
5887 | 14 | CE1 | 126.7 | 4 |
5973 | 84 | CE1 | 126.335 | |
6073 | 80 | CE1 | 125.12 | |
6247 | 30 | CE1 | 82.320 | |
6275 | 64 | CE1 | 121.3 | 1 |
6308 | 11 | CE1 | 56.576 | |
6308 | 28 | CE1 | 54.588 | |
6308 | 82 | CE1 | 55.048 | |
6331 | 38 | CE1 | 126.659 | 1 |
6361 | 1 | CE1 | 126.523 | 3 |
6361 | 105 | CE1 | 126.523 | 3 |
6361 | 20 | CE1 | 126.347 | 3 |
6361 | 53 | CE1 | 126.054 | 3 |
6361 | 58 | CE1 | 126.054 | 3 |
6385 | 96 | CE1 | 126.641 | 1 |
6391 | 87 | CE1 | 121.49 | 3 |
6536 | 19 | CE1 | 114.754 | 1 |
6688 | 137 | CE1 | 119.63 | 3 |
6730 | 28 | CE1 | 53.572 | |
6730 | 90 | CE1 | 54.316 | |
6759 | 103 | CE1 | 117.3380 | |
6763 | 125 | CE1 | 102.93 | |
6780 | 27 | CE1 | 125.003 | 1 |
6780 | 92 | CE1 | 125.402 | 1 |
6857 | 10 | CE1 | 118.034 | 1 |
6857 | 9 | CE1 | 118.247 | 1 |
6960 | 85 | CE1 | 124.817 | |
7089 | 98 | CE1 | 126.600 | 1 |
7110 | 35 | CE1 | 126.0 | |
11142 | 107 | CE1 | 126.558 | 1 |
11220 | 27 | CE1 | 125.338 | 1 |
11592 | 127 | CE1 | 114.036 | 3 |
15003 | 25 | CE1 | 117.895 | 1 |
15084 | 47 | CE1 | 126.700 | 1 |
15200 | 107 | CE1 | 125.700 | 1 |
15314 | 53 | CE1 | 126.311 | 3 |
15314 | 77 | CE1 | 125.748 | 3 |
15404 | 19 | CE1 | 125.623 | 1 |
15404 | 9 | CE1 | 125.033 | 1 |
15466 | 26 | CE1 | 117.895 | 1 |
15485 | 39 | CE1 | 126.674 | |
15485 | 52 | CE1 | 126.667 | |
15485 | 67 | CE1 | 126.706 | |
15576 | 70 | CE1 | 126.200 | 1 |
15813 | 103 | CE1 | 118.2 | |
15813 | 75 | CE1 | 118.0 | |
15814 | 23 | CE1 | 118.6 | 3 |
15814 | 33 | CE1 | 118.6 | 3 |
15814 | 49 | CE1 | 118.4 | 3 |
16339 | 48 | CE1 | 61.800 | 3 |
16339 | 64 | CE1 | 62.000 | 3 |
16347 | 127 | CE1 | 118.42 | 1 |
16544 | 20 | CE1 | 116.000 | 1 |
16672 | 104 | CE1 | 66.834 | 3 |
16712 | 25 | CE1 | 125.760 | 1 |
16712 | 70 | CE1 | 126.682 | 1 |
16713 | 16 | CE1 | 125.661 | 1 |
16713 | 78 | CE1 | 126.635 | 1 |
16814 | 13 | CE1 | 70.180 | 3 |
16884 | 15 | CE1 | 125.4 | 1 |
16884 | 23 | CE1 | 126.4 | 1 |
16884 | 32 | CE1 | 125.2 | 1 |
16884 | 35 | CE1 | 126.3 | 1 |
16884 | 44 | CE1 | 125.3 | 1 |
16884 | 55 | CE1 | 125.9 | 1 |
16884 | 57 | CE1 | 125.2 | 1 |
16884 | 76 | CE1 | 125.7 | 1 |
17073 | 42 | CE1 | 69.9300 | 3 |
17073 | 43 | CE1 | 69.0000 | 3 |
17073 | 7 | CE1 | 69.8990 | 3 |
17076 | 71 | CE1 | 124.100 | 3 |
17278 | 49 | CE1 | 124.052 | 1 |
17392 | 85 | CE1 | 124.731 | 3 |
17393 | 85 | CE1 | 124.8212 | 2 |
17434 | 33 | CE1 | 118.522 | 3 |
17456 | 53 | CE1 | 126.698 | 3 |
17456 | 66 | CE1 | 126.723 | 3 |
17456 | 81 | CE1 | 124.970 | 3 |
17767 | 62 | CE1 | 125.000 | 3 |
17799 | 135 | CE1 | 126.021 | 3 |
17806 | 26 | CE1 | 126.096 | 3 |
17806 | 75 | CE1 | 120.834 | 3 |
17953 | 107 | CE1 | 117.585 | 3 |
18118 | 31 | CE1 | 126.180 | 3 |
18118 | 32 | CE1 | 125.950 | 3 |
18124 | 28 | CE1 | 113.355 | 1 |
18124 | 6 | CE1 | 118.415 | 1 |
18235 | 43 | CE1 | 55.3 | 3 |
18235 | 76 | CE1 | 55.3 | 3 |
18292 | 9 | CE1 | 125.834 | 3 |
18356 | 106 | CE1 | 121.6 | 1 |
18356 | 141 | CE1 | 123.4 | 1 |
18356 | 15 | CE1 | 120.6 | 1 |
18356 | 30 | CE1 | 120.4 | 1 |
18356 | 63 | CE1 | 123.4 | 1 |
18356 | 66 | CE1 | 119.5 | 1 |
18356 | 87 | CE1 | 123.5 | 1 |
18356 | 89 | CE1 | 121.7 | 1 |
18550 | 91 | CE1 | 126.270 | 1 |
18621 | 22 | CE1 | 120.0 | 1 |
18621 | 27 | CE1 | 118.9 | 1 |
18621 | 48 | CE1 | 119.9 | 1 |
18982 | 2 | CE1 | 7.472 | 1 |
19203 | 57 | CE1 | 126.734 | 3 |
19234 | 94 | CE1 | 0.000 | 1 |
19433 | 69 | CE1 | 126.531 | 3 |
19541 | 1 | CE1 | 13.606 | 3 |
19642 | 33 | CE1 | 126.125 | |
19792 | 58 | CE1 | 126.743 | |
19851 | 34 | CE1 | 125.759 | 3 |
19952 | 64 | CE1 | 123.101 | 3 |
19952 | 92 | CE1 | 119.501 | 3 |
19961 | 76 | CE1 | 61.404 | 1 |
19967 | 21 | CE1 | 116.361 | 1 |
19967 | 45 | CE1 | 121.210 | 1 |
25026 | 141 | CE1 | 126.258 | 3 |
25239 | 48 | CE1 | 117.7 | 1 |
25294 | 106 | CE1 | 126.706 | |
25294 | 111 | CE1 | 126.443 | |
25294 | 39 | CE1 | 126.665 | |
25379 | 179 | CE1 | 126.383 | 1 |
25382 | 30 | CE1 | 75.559 | |
25382 | 31 | CE1 | 75.783 | |
25382 | 41 | CE1 | 74.733 | |
25382 | 54 | CE1 | 73.941 | |
25485 | 22 | CE1 | 126.747 | 1 |
25567 | 112 | CE1 | 125.271 | |
25567 | 113 | CE1 | 124.243 | |
25567 | 127 | CE1 | 123.907 | |
25567 | 64 | CE1 | 126.690 | |
25849 | 14 | CE1 | 126.347 | |
26552 | 113 | CE1 | 35.2299 | |
26552 | 125 | CE1 | 36.1499 | |
26552 | 140 | CE1 | 35.7299 | |
26552 | 168 | CE1 | 35.9499 | |
26552 | 181 | CE1 | 34.2299 | |
26552 | 34 | CE1 | 33.4499 | |
26552 | 43 | CE1 | 32.4799 | |
26552 | 57 | CE1 | 35.8499 | |
26552 | 67 | CE1 | 35.6499 | |
26552 | 69 | CE1 | 35.9799 | |
26552 | 89 | CE1 | 36.1499 | |
26753 | 41 | CE1 | 120.810 | 1 |
27251 | 23 | CE1 | 126.481 | 1 |
27254 | 36 | CE1 | 126.054 | 1 |
27453 | 28 | CE1 | 126.546 | 1 |
27453 | 49 | CE1 | 126.714 | 1 |
27677 | 122 | CE1 | 124.3600 | 3 |
27677 | 203 | CE1 | 116.7046 | 3 |
30023 | 81 | CE1 | 125.569 | 1 |
30178 | 11 | CE1 | 124.86 | 3 |
30532 | 60 | CE1 | 126.0140 | 1 |
34022 | 100 | CE1 | 36.1499 | |
34022 | 115 | CE1 | 35.7299 | |
34022 | 143 | CE1 | 35.9499 | |
34022 | 156 | CE1 | 34.2299 | |
34022 | 18 | CE1 | 32.4799 | |
34022 | 32 | CE1 | 35.8499 | |
34022 | 42 | CE1 | 35.6499 | |
34022 | 44 | CE1 | 35.9799 | |
34022 | 64 | CE1 | 36.1499 | |
34022 | 88 | CE1 | 35.2299 | |
34022 | 9 | CE1 | 33.4499 | |
34039 | 26 | CE1 | 126.5020 | 1 |
34042 | 119 | CE1 | 90.475 | |
34042 | 120 | CE1 | 89.975 | |
34042 | 28 | CE1 | 90.575 | |
34202 | 96 | CE1 | 121.704 | |
34627 | 73 | CE1 | 7.307 | 1 |
50022 | 87 | CE1 | 39.017 | |
51096 | 55 | CE1 | 125.8011646 | |
51187 | 48 | CE1 | 118.222 | 1 |
51187 | 55 | CE1 | 117.514 | 1 |
51187 | 82 | CE1 | 119.560 | 1 |
51896 | 7 | CE1 | 126.733 | 1 |