Average chemical shift: 131.58
Standard deviation: 1.245
Low-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
5337 | 40 | CD1 | 138.12 | 3 |
6371 | 32 | CD1 | 135.9 | 1 |
15813 | 103 | CD1 | 138.7 | |
15824 | 57 | CD1 | 135.512 | 1 |
16063 | 53 | CD1 | 143.4500 | 3 |
16175 | 123 | CD1 | 136.293 | 3 |
16195 | 61 | CD1 | 136.453 | 3 |
16590 | 40 | CD1 | 136.728 | 3 |
17039 | 38 | CD1 | 135.8 | 3 |
17892 | 61 | CD1 | 136.171 | |
17944 | 8 | CD1 | 136.4 | |
18586 | 41 | CD1 | 135.325 | 3 |
18586 | 69 | CD1 | 135.380 | 3 |
18776 | 57 | CD1 | 135.875 | 1 |
19854 | 161 | CD1 | 136.422 | 1 |
19881 | 39 | CD1 | 143.164 | 1 |
25117 | 28 | CD1 | 136.377 | 1 |
25402 | 70 | CD1 | 137.237 | 3 |
25744 | 35 | CD1 | 135.409 | 1 |
25744 | 43 | CD1 | 135.645 | 1 |
25761 | 63 | CD1 | 135.393 | |
27254 | 82 | CD1 | 138.013 | 1 |
30334 | 20 | CD1 | 135.850 | |
30334 | 35 | CD1 | 137.397 | |
30334 | 78 | CD1 | 135.540 | |
30334 | 89 | CD1 | 136.148 | |
30891 | 13 | CD1 | 148.7280 | |
50135 | 14 | CD1 | 140.309 |
High-field shifts outside of three standard deviations from the average | Entry ID | Comp. index ID | Atom ID | Chemical Shift Value | Ambiguity code |
---|---|---|---|---|
1404 | 82 | CD1 | 119.1 | 1 |
4023 | 18 | CD1 | 122.3 | 1 |
4127 | 17 | CD1 | 127.7 | 3 |
4150 | 68 | CD1 | 51.176 | |
4150 | 76 | CD1 | 51.435 | |
4150 | 81 | CD1 | 53.180 | |
4215 | 125 | CD1 | 126.600 | 1 |
4313 | 122 | CD1 | 127.8 | 3 |
4368 | 19 | CD1 | 89.10 | 3 |
4368 | 60 | CD1 | 69.70 | 3 |
4670 | 82 | CD1 | 118.5 | |
4803 | 56 | CD1 | 122.4 | 1 |
4804 | 56 | CD1 | 122.4 | 1 |
4953 | 66 | CD1 | 127.300 | 1 |
4954 | 2 | CD1 | 127.8 | 1 |
4954 | 21 | CD1 | 127.27 | 1 |
5165 | 83 | CD1 | 123.288 | 1 |
5179 | 19 | CD1 | 83.920 | |
5179 | 32 | CD1 | 82.620 | |
5179 | 35 | CD1 | 84.220 | |
5179 | 69 | CD1 | 86.820 | |
5337 | 8 | CD1 | 124.79 | 1 |
5363 | 30 | CD1 | 126.507 | 2 |
5633 | 67 | CD1 | 127.529 | |
5653 | 67 | CD1 | 127.529 | |
5678 | 107 | CD1 | 123.8 | 1 |
5678 | 147 | CD1 | 121.7 | 1 |
5678 | 148 | CD1 | 121.6 | 1 |
5729 | 23 | CD1 | 127.6 | 1 |
5887 | 103 | CD1 | 126.8 | 4 |
5887 | 14 | CD1 | 126.9 | 4 |
5887 | 99 | CD1 | 125.5 | 4 |
5928 | 53 | CD1 | 127.5 | 1 |
5928 | 99 | CD1 | 127.2 | 1 |
5933 | 9 | CD1 | 127.3 | 3 |
5981 | 34 | CD1 | 127.677 | 1 |
6072 | 65 | CD1 | 19.150 | 1 |
6073 | 71 | CD1 | 127.80 | |
6073 | 80 | CD1 | 127.40 | |
6125 | 71 | CD1 | 127.6 | 3 |
6247 | 30 | CD1 | 85.254 | |
6275 | 153 | CD1 | 127.6 | 1 |
6275 | 64 | CD1 | 127.2 | 1 |
6275 | 93 | CD1 | 127.2 | 1 |
6308 | 11 | CD1 | 56.594 | |
6308 | 28 | CD1 | 58.233 | |
6308 | 29 | CD1 | 55.439 | |
6308 | 82 | CD1 | 56.594 | |
6361 | 1 | CD1 | 127.694 | 3 |
6361 | 20 | CD1 | 127.500 | 3 |
6385 | 89 | CD1 | 127.677 | 1 |
6536 | 19 | CD1 | 124.975 | 1 |
6546 | 140 | CD1 | 127.3 | 1 |
6570 | 64 | CD1 | 127.608 | 3 |
6679 | 13 | CD1 | 127.043 | 1 |
6680 | 13 | CD1 | 126.891 | 1 |
6680 | 30 | CD1 | 126.941 | 1 |
6730 | 28 | CD1 | 56.584 | |
6730 | 90 | CD1 | 57.054 | |
6763 | 7 | CD1 | 110.70 | |
6780 | 27 | CD1 | 125.942 | 1 |
6780 | 8 | CD1 | 127.672 | 1 |
6780 | 92 | CD1 | 126.405 | 1 |
6912 | 5 | CD1 | 127.4 | 3 |
6936 | 43 | CD1 | 127.43 | 1 |
6960 | 101 | CD1 | 127.444 | |
6960 | 85 | CD1 | 127.176 | |
7019 | 107 | CD1 | 127.481 | 1 |
7110 | 85 | CD1 | 124.8 | |
7121 | 21 | CD1 | 117.7 | 1 |
11086 | 89 | CD1 | 127.542 | 1 |
11124 | 51 | CD1 | 127.579 | 1 |
11126 | 71 | CD1 | 127.565 | 1 |
11134 | 31 | CD1 | 126.680 | 1 |
11430 | 16 | CD1 | 127.40 | 3 |
11592 | 127 | CD1 | 117.312 | 1 |
15167 | 41 | CD1 | 127.7 | 1 |
15404 | 19 | CD1 | 124.859 | 1 |
15404 | 9 | CD1 | 125.860 | 1 |
15485 | 52 | CD1 | 126.587 | |
15485 | 55 | CD1 | 127.446 | |
15485 | 67 | CD1 | 126.897 | |
15485 | 69 | CD1 | 127.521 | |
15813 | 109 | CD1 | 118.5 | |
15927 | 15 | CD1 | 127.163 | 1 |
15927 | 51 | CD1 | 126.305 | 1 |
16179 | 23 | CD1 | 127.500 | 3 |
16180 | 23 | CD1 | 127.550 | 3 |
16181 | 23 | CD1 | 127.700 | 3 |
16339 | 48 | CD1 | 62.005 | 3 |
16671 | 23 | CD1 | 127.500 | 3 |
16672 | 104 | CD1 | 67.026 | 3 |
16672 | 30 | CD1 | 67.406 | 3 |
16672 | 50 | CD1 | 67.232 | 3 |
16672 | 73 | CD1 | 65.793 | 3 |
16712 | 16 | CD1 | 125.696 | 1 |
16713 | 88 | CD1 | 116.948 | 1 |
16814 | 13 | CD1 | 67.112 | 3 |
16846 | 63 | CD1 | 123.410 | |
16914 | 59 | CD1 | 51.41 | |
16929 | 60 | CD1 | 126.9000 | 3 |
17073 | 42 | CD1 | 70.4070 | 3 |
17073 | 43 | CD1 | 70.1230 | 3 |
17073 | 7 | CD1 | 70.0900 | 3 |
17278 | 49 | CD1 | 118.039 | 1 |
17392 | 101 | CD1 | 127.437 | 3 |
17392 | 85 | CD1 | 127.272 | 3 |
17393 | 101 | CD1 | 127.4416 | 2 |
17393 | 85 | CD1 | 127.2433 | 2 |
17425 | 16 | CD1 | 126.6300 | 1 |
17443 | 72 | CD1 | 125.523 | 3 |
17456 | 24 | CD1 | 125.915 | 3 |
17456 | 27 | CD1 | 126.532 | 3 |
17456 | 5 | CD1 | 126.580 | 3 |
17456 | 50 | CD1 | 126.842 | 3 |
17456 | 53 | CD1 | 126.724 | 3 |
17456 | 66 | CD1 | 126.215 | 3 |
17688 | 130 | CD1 | 127.126 | 1 |
17767 | 113 | CD1 | 125.300 | 3 |
17799 | 135 | CD1 | 127.399 | 3 |
17799 | 97 | CD1 | 127.491 | 3 |
17806 | 23 | CD1 | 127.478 | 3 |
17806 | 26 | CD1 | 127.552 | 3 |
17806 | 75 | CD1 | 127.247 | 3 |
18018 | 23 | CD1 | 125.592 | 3 |
18113 | 67 | CD1 | 127.592 | 1 |
18118 | 12 | CD1 | 127.330 | 3 |
18118 | 31 | CD1 | 126.490 | 3 |
18118 | 32 | CD1 | 127.280 | 3 |
18118 | 46 | CD1 | 126.420 | 3 |
18235 | 39 | CD1 | 55.3 | 3 |
18235 | 43 | CD1 | 57.1 | 3 |
18235 | 76 | CD1 | 56.5 | 3 |
18292 | 79 | CD1 | 127.329 | 3 |
18292 | 9 | CD1 | 127.424 | 3 |
18355 | 66 | CD1 | 118.128 | 1 |
18356 | 106 | CD1 | 121.6 | 1 |
18356 | 141 | CD1 | 120.1 | 1 |
18356 | 15 | CD1 | 120.5 | 1 |
18356 | 30 | CD1 | 121.8 | 1 |
18356 | 63 | CD1 | 123.4 | 1 |
18356 | 66 | CD1 | 119.5 | 1 |
18356 | 85 | CD1 | 124.9 | 1 |
18356 | 87 | CD1 | 124.1 | 1 |
18356 | 89 | CD1 | 119.0 | 1 |
18364 | 70 | CD1 | 127.742 | 3 |
18620 | 21 | CD1 | 117.3 | 1 |
18621 | 48 | CD1 | 117.9 | 1 |
18958 | 30 | CD1 | 127.711 | 1 |
18961 | 23 | CD1 | 118.724 | 3 |
18982 | 10 | CD1 | 7.160 | 1 |
18982 | 2 | CD1 | 7.342 | 1 |
19009 | 20 | CD1 | 127.2 | 1 |
19033 | 22 | CD1 | 125.472 | 3 |
19458 | 80 | CD1 | 13.6491 | |
19510 | 60 | CD1 | 126.664 | |
19541 | 1 | CD1 | 13.571 | 3 |
19562 | 91 | CD1 | 126.9430 | 3 |
19626 | 37 | CD1 | 126.598 | 1 |
19952 | 64 | CD1 | 120.815 | 3 |
19967 | 45 | CD1 | 118.985 | 1 |
25026 | 141 | CD1 | 127.618 | 3 |
25043 | 143 | CD1 | 127.775 | 1 |
25239 | 113 | CD1 | 118.7 | 1 |
25239 | 139 | CD1 | 119.1 | 1 |
25239 | 48 | CD1 | 127.7 | 1 |
25294 | 109 | CD1 | 127.504 | |
25382 | 30 | CD1 | 75.207 | |
25382 | 31 | CD1 | 75.747 | |
25382 | 41 | CD1 | 75.027 | |
25382 | 54 | CD1 | 75.563 | |
25474 | 12 | CD1 | 126.584 | |
25490 | 12 | CD1 | 124.41 | 1 |
25567 | 112 | CD1 | 127.609 | |
25567 | 127 | CD1 | 127.146 | |
25567 | 64 | CD1 | 126.696 | |
25704 | 10 | CD1 | 127.840 | 1 |
25760 | 28 | CD1 | 127.079 | |
25979 | 7 | CD1 | 127.653 | 3 |
26552 | 113 | CD1 | 35.1949 | |
26552 | 117 | CD1 | 36.2299 | |
26552 | 125 | CD1 | 36.1499 | |
26552 | 140 | CD1 | 35.9499 | |
26552 | 168 | CD1 | 35.9499 | |
26552 | 181 | CD1 | 35.9499 | |
26552 | 34 | CD1 | 35.7299 | |
26552 | 43 | CD1 | 35.7299 | |
26552 | 57 | CD1 | 35.8499 | |
26552 | 67 | CD1 | 35.9499 | |
26552 | 69 | CD1 | 36.3499 | |
26552 | 89 | CD1 | 36.0499 | |
26552 | 96 | CD1 | 35.7299 | |
27317 | 103 | CD1 | 127.194 | 1 |
27453 | 29 | CD1 | 125.853 | 1 |
27453 | 43 | CD1 | 127.445 | 1 |
28028 | 51 | CD1 | 117.781 | 1 |
28028 | 57 | CD1 | 125.319 | 1 |
28042 | 30 | CD1 | 127.653 | |
30023 | 23 | CD1 | 126.921 | 1 |
30023 | 79 | CD1 | 125.560 | 1 |
30207 | 22 | CD1 | 127.024 | |
30375 | 162 | CD1 | 126.923 | |
30375 | 85 | CD1 | 125.681 | |
30532 | 38 | CD1 | 123.7900 | 1 |
30704 | 115 | CD1 | 126.910 | 3 |
30727 | 44 | CD1 | 119.160 | |
30800 | 89 | CD1 | 122.7120 | |
30956 | 56 | CD1 | 126.016 | 1 |
34022 | 100 | CD1 | 36.1499 | |
34022 | 115 | CD1 | 35.9499 | |
34022 | 143 | CD1 | 35.9499 | |
34022 | 156 | CD1 | 35.9499 | |
34022 | 18 | CD1 | 35.7299 | |
34022 | 32 | CD1 | 35.8499 | |
34022 | 42 | CD1 | 35.9499 | |
34022 | 44 | CD1 | 36.3499 | |
34022 | 64 | CD1 | 36.0499 | |
34022 | 71 | CD1 | 35.7299 | |
34022 | 88 | CD1 | 35.1949 | |
34022 | 9 | CD1 | 35.7299 | |
34022 | 92 | CD1 | 36.2299 | |
34041 | 98 | CD1 | 127.06 | 3 |
34042 | 119 | CD1 | 91.574 | |
34042 | 120 | CD1 | 91.393 | |
34042 | 28 | CD1 | 91.835 | |
34042 | 46 | CD1 | 91.655 | |
34058 | 98 | CD1 | 126.32 | 3 |
34153 | 27 | CD1 | 127.700 | 1 |
34202 | 94 | CD1 | 118.452 | |
34439 | 57 | CD1 | 127.180 | 1 |
34466 | 77 | CD1 | 127.599 | |
34466 | 82 | CD1 | 127.773 | |
34638 | 132 | CD1 | 127.789 | |
34767 | 62 | CD1 | 127.691 | |
34767 | 78 | CD1 | 126.588 | |
36142 | 13 | CD1 | 126.635 | |
36143 | 20 | CD1 | 127.06241 | |
50022 | 87 | CD1 | 26.384 | |
50804 | 15 | CD1 | 120.316 | |
51547 | 56 | CD1 | 127.473 | 1 |
51548 | 56 | CD1 | 127.473 | 1 |
51896 | 7 | CD1 | 127.052 | 1 |