4-2-Aminoethyl-morpholine
Simulation outputs:
Parameter | Value | |
Field strength | 400.13(MHz) | |
RMSD of the fit | 0.01789 | |
Temperature | 298 K | |
pH | 7.4 | |
InChI | InChI=1S/C6H14N2O/c7-1-2-8-3-5-9-6-4-8/h1-7H2 | |
Note 1 | None |
Sample description:
Compound | Type | Concentration |
---|---|---|
2-Morpholinoethylamine | Solute | 100mM |
D2O | Solvent | 100% |
sodium phosphate | Buffer | 50mM |
sodium azide | Cytocide | 500uM |
DSS | Reference | 500uM |
Spin System Matrix
10 | 11 | 12 | 13 | 14 | 15 | 18 | 19 | 16 | 17 | 20 | 21 | |
---|---|---|---|---|---|---|---|---|---|---|---|---|
10 | 3.152 | -12.0 | 10.562 | 7.241 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
11 | 0 | 3.152 | 4.443 | 5.458 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
12 | 0 | 0 | 2.712 | -12.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
13 | 0 | 0 | 0 | 2.712 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
14 | 0 | 0 | 0 | 0 | 3.759 | -11.5 | 4.619 | 4.619 | 0 | 0 | 0 | 0 |
15 | 0 | 0 | 0 | 0 | 0 | 3.759 | 4.619 | 4.619 | 0 | 0 | 0 | 0 |
18 | 0 | 0 | 0 | 0 | 0 | 0 | 2.596 | -12.5 | 0 | 0 | 0 | 0 |
19 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2.596 | 0 | 0 | 0 | 0 |
16 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.759 | -12.4 | 4.619 | 4.619 |
17 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.759 | 4.619 | 4.619 |
20 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2.596 | -12.4 |
21 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2.596 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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PPM | Amplitude | Peak Type |
---|---|---|
2.58563 | 0.597704 | standard |
2.59634 | 1.00007 | standard |
2.60712 | 0.596593 | standard |
2.694 | 0.492199 | standard |
2.7107 | 0.72095 | standard |
2.72855 | 0.595135 | standard |
3.10508 | 0.0133967 | standard |
3.13543 | 0.56321 | standard |
3.15331 | 0.757881 | standard |
3.16967 | 0.387144 | standard |
3.20105 | 0.0104516 | standard |
3.74777 | 0.594464 | standard |
3.75861 | 0.997943 | standard |
3.76933 | 0.596886 | standard |
2.47759 | 0.549728 | standard |
2.59791 | 1.0 | standard |
2.69216 | 0.945112 | standard |
2.82831 | 0.804648 | standard |
2.91748 | 0.257894 | standard |
2.9793 | 0.256726 | standard |
3.03485 | 0.795495 | standard |
3.13152 | 0.376116 | standard |
3.17114 | 0.453797 | standard |
3.26737 | 0.196311 | standard |
3.30339 | 0.19962 | standard |
3.39668 | 0.141016 | standard |
3.65572 | 0.595763 | standard |
3.76337 | 0.856789 | standard |
3.86662 | 0.457144 | standard |
2.52671 | 0.486023 | standard |
2.59851 | 1.0 | standard |
2.67273 | 0.850041 | standard |
2.68616 | 0.847728 | standard |
2.79846 | 0.52189 | standard |
2.81539 | 0.518448 | standard |
2.86471 | 0.125751 | standard |
3.05735 | 0.608806 | standard |
3.13561 | 0.343934 | standard |
3.16897 | 0.478915 | standard |
3.19687 | 0.272096 | standard |
3.25766 | 0.188481 | standard |
3.30283 | 0.150308 | standard |
3.68876 | 0.552446 | standard |
3.76077 | 0.839938 | standard |
3.83114 | 0.462608 | standard |
2.54276 | 0.513662 | standard |
2.60083 | 1.0 | standard |
2.62582 | 0.748007 | standard |
2.69449 | 0.74831 | standard |
2.7196 | 0.392753 | standard |
2.78672 | 0.582839 | standard |
2.86375 | 0.0554821 | standard |
2.93556 | 0.0391085 | standard |
2.99889 | 0.035599 | standard |
3.07811 | 0.678007 | standard |
3.13997 | 0.359817 | standard |
3.16547 | 0.567154 | standard |
3.23288 | 0.214812 | standard |
3.25992 | 0.184713 | standard |
3.70573 | 0.570757 | standard |
3.75981 | 0.89139 | standard |
3.81289 | 0.500318 | standard |
2.54834 | 0.553038 | standard |
2.59604 | 1.0 | standard |
2.61797 | 0.825446 | standard |
2.63741 | 0.83934 | standard |
2.69783 | 0.799497 | standard |
2.71916 | 0.406894 | standard |
2.77995 | 0.610812 | standard |
2.84471 | 0.0493433 | standard |
2.89853 | 0.026424 | standard |
2.95732 | 0.035507 | standard |
3.08473 | 0.713958 | standard |
3.14143 | 0.388917 | standard |
3.16439 | 0.648693 | standard |
3.22444 | 0.23981 | standard |
3.2462 | 0.211733 | standard |
3.7115 | 0.610932 | standard |
3.75952 | 0.962244 | standard |
3.80688 | 0.543274 | standard |
2.553 | 0.564586 | standard |
2.59573 | 1.0 | standard |
2.64179 | 0.87317 | standard |
2.70033 | 0.810853 | standard |
2.71779 | 0.406212 | standard |
2.77389 | 0.615176 | standard |
2.83327 | 0.046835 | standard |
2.97438 | 0.028946 | standard |
3.09048 | 0.710522 | standard |
3.14263 | 0.398371 | standard |
3.16325 | 0.699869 | standard |
3.21757 | 0.252875 | standard |
3.23555 | 0.227238 | standard |
3.7161 | 0.615859 | standard |
3.75938 | 0.976525 | standard |
3.80208 | 0.557245 | standard |
2.57467 | 0.594605 | standard |
2.59618 | 1.0 | standard |
2.61774 | 0.605343 | standard |
2.67569 | 0.439455 | standard |
2.70839 | 0.765568 | standard |
2.74462 | 0.608108 | standard |
2.77322 | 0.0347142 | standard |
3.05951 | 0.0165521 | standard |
3.11942 | 0.633565 | standard |
3.14823 | 0.436841 | standard |
3.15591 | 0.785365 | standard |
3.18584 | 0.31953 | standard |
3.19074 | 0.30937 | standard |
3.25105 | 0.0102742 | standard |
3.73718 | 0.600115 | standard |
3.75875 | 0.997111 | standard |
3.78023 | 0.59304 | standard |
2.58197 | 0.597121 | standard |
2.59629 | 1.0 | standard |
2.61062 | 0.597875 | standard |
2.6708 | 0.0398132 | standard |
2.68796 | 0.473198 | standard |
2.71 | 0.728821 | standard |
2.73406 | 0.60047 | standard |
3.08973 | 0.0143194 | standard |
3.13003 | 0.586074 | standard |
3.15405 | 0.769938 | standard |
3.17502 | 0.357587 | standard |
3.17692 | 0.352419 | standard |
3.21759 | 0.0102871 | standard |
3.74421 | 0.594403 | standard |
3.75866 | 0.998159 | standard |
3.77299 | 0.596166 | standard |
2.58563 | 0.598065 | standard |
2.59634 | 1.00007 | standard |
2.60712 | 0.597018 | standard |
2.69395 | 0.49763 | standard |
2.7107 | 0.72138 | standard |
2.72855 | 0.595471 | standard |
3.10508 | 0.0134077 | standard |
3.13543 | 0.563545 | standard |
3.15331 | 0.758359 | standard |
3.16967 | 0.387461 | standard |
3.20105 | 0.0104596 | standard |
3.74777 | 0.594982 | standard |
3.75861 | 0.998899 | standard |
3.76933 | 0.597416 | standard |
2.58775 | 0.597127 | standard |
2.59634 | 1.00012 | standard |
2.605 | 0.595777 | standard |
2.69757 | 0.511383 | standard |
2.71098 | 0.707912 | standard |
2.72528 | 0.587801 | standard |
3.11439 | 0.0133157 | standard |
3.13875 | 0.546969 | standard |
3.15294 | 0.751787 | standard |
3.16635 | 0.407279 | standard |
3.19125 | 0.0105922 | standard |
3.7499 | 0.595247 | standard |
3.75856 | 0.999472 | standard |
3.76716 | 0.596752 | standard |
2.58923 | 0.596775 | standard |
2.59639 | 1.0 | standard |
2.60356 | 0.596714 | standard |
2.69995 | 0.522864 | standard |
2.71122 | 0.706251 | standard |
2.72305 | 0.582659 | standard |
3.12063 | 0.0129178 | standard |
3.14103 | 0.528121 | standard |
3.15276 | 0.753495 | standard |
3.16394 | 0.414884 | standard |
3.18471 | 0.0103987 | standard |
3.75134 | 0.594564 | standard |
3.75856 | 0.998527 | standard |
3.76572 | 0.596306 | standard |
2.59025 | 0.596531 | standard |
2.59639 | 1.0 | standard |
2.60254 | 0.596627 | standard |
2.70169 | 0.531323 | standard |
2.71129 | 0.709404 | standard |
2.72141 | 0.578343 | standard |
3.12519 | 0.0130526 | standard |
3.14262 | 0.532169 | standard |
3.15264 | 0.746989 | standard |
3.16235 | 0.433768 | standard |
3.18006 | 0.0102565 | standard |
3.75235 | 0.594444 | standard |
3.75856 | 0.999839 | standard |
3.76465 | 0.598569 | standard |
2.59066 | 0.597098 | standard |
2.59639 | 1.0 | standard |
2.60212 | 0.597144 | standard |
2.70233 | 0.536504 | standard |
2.71142 | 0.701361 | standard |
2.72077 | 0.573283 | standard |
3.12697 | 0.0129237 | standard |
3.14326 | 0.51321 | standard |
3.15263 | 0.749981 | standard |
3.16163 | 0.42394 | standard |
3.17818 | 0.0103334 | standard |
3.75277 | 0.594319 | standard |
3.75856 | 0.999096 | standard |
3.76429 | 0.596805 | standard |
2.59104 | 0.597161 | standard |
2.59639 | 1.0 | standard |
2.60175 | 0.597194 | standard |
2.70292 | 0.540234 | standard |
2.7114 | 0.685647 | standard |
2.72022 | 0.571102 | standard |
3.12856 | 0.0128197 | standard |
3.14381 | 0.519511 | standard |
3.15264 | 0.748363 | standard |
3.1611 | 0.429258 | standard |
3.17659 | 0.0103784 | standard |
3.75314 | 0.594308 | standard |
3.75856 | 0.998914 | standard |
3.76392 | 0.596845 | standard |
2.59158 | 0.595286 | standard |
2.59639 | 0.999099 | standard |
2.60121 | 0.595351 | standard |
2.70391 | 0.54336 | standard |
2.71149 | 0.686958 | standard |
2.71928 | 0.568912 | standard |
3.13114 | 0.0121502 | standard |
3.14475 | 0.521492 | standard |
3.15257 | 0.753026 | standard |
3.16006 | 0.431255 | standard |
3.17382 | 0.010937 | standard |
3.75374 | 0.59539 | standard |
3.75856 | 1.0 | standard |
3.76331 | 0.597772 | standard |
2.59186 | 0.596626 | standard |
2.59639 | 1.0 | standard |
2.60092 | 0.596366 | standard |
2.70431 | 0.542715 | standard |
2.71148 | 0.690951 | standard |
2.71889 | 0.568023 | standard |
3.13233 | 0.0121496 | standard |
3.14514 | 0.516572 | standard |
3.15251 | 0.745494 | standard |
3.15973 | 0.44126 | standard |
3.17273 | 0.0109478 | standard |
3.75403 | 0.596538 | standard |
3.75856 | 0.99996 | standard |
3.76309 | 0.596537 | standard |
2.5921 | 0.59667 | standard |
2.59639 | 0.999389 | standard |
2.60075 | 0.594039 | standard |
2.70471 | 0.54257 | standard |
2.71147 | 0.681051 | standard |
2.71854 | 0.565399 | standard |
3.13332 | 0.0120974 | standard |
3.14554 | 0.51207 | standard |
3.15251 | 0.744514 | standard |
3.15933 | 0.43392 | standard |
3.17174 | 0.0109469 | standard |
3.7542 | 0.594031 | standard |
3.75856 | 1.0 | standard |
3.7628 | 0.59992 | standard |
2.59252 | 0.598517 | standard |
2.59639 | 1.0 | standard |
2.60033 | 0.595037 | standard |
2.7053 | 0.541048 | standard |
2.71156 | 0.69085 | standard |
2.71789 | 0.566587 | standard |
3.135 | 0.0119952 | standard |
3.14614 | 0.498557 | standard |
3.15251 | 0.744233 | standard |
3.15871 | 0.443455 | standard |
3.16996 | 0.0109997 | standard |
3.75457 | 0.591838 | standard |
3.75856 | 0.998577 | standard |
3.76243 | 0.598193 | standard |
2.59306 | 0.593787 | standard |
2.59639 | 0.996701 | standard |
2.59973 | 0.593787 | standard |
2.70634 | 0.550094 | standard |
2.71152 | 0.670763 | standard |
2.71695 | 0.558195 | standard |
3.13768 | 0.011417 | standard |
3.14708 | 0.496812 | standard |
3.15244 | 0.742575 | standard |
3.15773 | 0.47237 | standard |
3.16719 | 0.0115366 | standard |
3.75523 | 0.594317 | standard |
3.75856 | 1.0 | standard |
3.76177 | 0.602058 | standard |