Phenyl carbamate
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02249 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C7H7NO2/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H2,8,9) | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Phenyl carbamate | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 11 | 12 | 13 | 14 | 15 | |
|---|---|---|---|---|---|
| 11 | 7.326 | 7.619 | 7.619 | 0 | 0 |
| 12 | 0 | 7.457 | 1.5 | 8.401 | 0 |
| 13 | 0 | 0 | 7.457 | 0 | 8.401 |
| 14 | 0 | 0 | 0 | 7.172 | 1.5 |
| 15 | 0 | 0 | 0 | 0 | 7.172 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.16483 | 0.908774 | standard |
| 7.17868 | 1.00017 | standard |
| 7.31274 | 0.244188 | standard |
| 7.32541 | 0.534962 | standard |
| 7.33806 | 0.352849 | standard |
| 7.44456 | 0.562579 | standard |
| 7.45788 | 0.859265 | standard |
| 7.47103 | 0.419477 | standard |
| 7.05021 | 0.141708 | standard |
| 7.25919 | 0.761002 | standard |
| 7.36591 | 1.0 | standard |
| 7.53399 | 0.152659 | standard |
| 7.74699 | 0.0290111 | standard |
| 7.09444 | 0.247157 | standard |
| 7.22937 | 0.650742 | standard |
| 7.29204 | 0.312964 | standard |
| 7.38283 | 1.0 | standard |
| 7.49708 | 0.260164 | standard |
| 7.58948 | 0.0792543 | standard |
| 7.64175 | 0.0522921 | standard |
| 7.11421 | 0.387797 | standard |
| 7.21675 | 0.789943 | standard |
| 7.30335 | 0.260474 | standard |
| 7.32569 | 0.253482 | standard |
| 7.3892 | 1.0 | standard |
| 7.43555 | 0.252695 | standard |
| 7.48218 | 0.367411 | standard |
| 7.55742 | 0.109053 | standard |
| 7.58799 | 0.0827321 | standard |
| 7.12146 | 0.492427 | standard |
| 7.21172 | 0.879307 | standard |
| 7.30807 | 0.277747 | standard |
| 7.32398 | 0.263375 | standard |
| 7.39316 | 1.0 | standard |
| 7.44457 | 0.275105 | standard |
| 7.47786 | 0.450236 | standard |
| 7.54671 | 0.134994 | standard |
| 7.12699 | 0.60514 | standard |
| 7.20691 | 1.0 | standard |
| 7.31091 | 0.306251 | standard |
| 7.32305 | 0.281921 | standard |
| 7.37635 | 0.804577 | standard |
| 7.39898 | 0.96832 | standard |
| 7.44995 | 0.323737 | standard |
| 7.47464 | 0.540325 | standard |
| 7.53827 | 0.164076 | standard |
| 7.14991 | 0.759343 | standard |
| 7.19059 | 1.0 | standard |
| 7.28362 | 0.165397 | standard |
| 7.32122 | 0.357859 | standard |
| 7.35766 | 0.461469 | standard |
| 7.42268 | 0.65621 | standard |
| 7.46289 | 0.715869 | standard |
| 7.50007 | 0.259677 | standard |
| 7.15751 | 0.827237 | standard |
| 7.18493 | 1.00003 | standard |
| 7.29853 | 0.197485 | standard |
| 7.32371 | 0.435726 | standard |
| 7.34867 | 0.405368 | standard |
| 7.43295 | 0.601937 | standard |
| 7.45969 | 0.79323 | standard |
| 7.48542 | 0.330079 | standard |
| 7.16121 | 0.86855 | standard |
| 7.18187 | 1.0 | standard |
| 7.30575 | 0.219896 | standard |
| 7.32467 | 0.484326 | standard |
| 7.34356 | 0.379698 | standard |
| 7.43861 | 0.578375 | standard |
| 7.45859 | 0.826191 | standard |
| 7.47815 | 0.372769 | standard |
| 7.16337 | 0.892239 | standard |
| 7.17996 | 1.00022 | standard |
| 7.30996 | 0.233988 | standard |
| 7.32513 | 0.51493 | standard |
| 7.34029 | 0.363315 | standard |
| 7.44213 | 0.566555 | standard |
| 7.45807 | 0.84965 | standard |
| 7.47384 | 0.401028 | standard |
| 7.16483 | 0.908773 | standard |
| 7.17868 | 1.00017 | standard |
| 7.31274 | 0.244187 | standard |
| 7.32541 | 0.534961 | standard |
| 7.33806 | 0.352849 | standard |
| 7.44456 | 0.56258 | standard |
| 7.45788 | 0.859267 | standard |
| 7.47103 | 0.419477 | standard |
| 7.16587 | 0.925068 | standard |
| 7.17775 | 1.0005 | standard |
| 7.31469 | 0.251534 | standard |
| 7.32558 | 0.548091 | standard |
| 7.33643 | 0.344842 | standard |
| 7.44628 | 0.554125 | standard |
| 7.45768 | 0.870854 | standard |
| 7.46901 | 0.43061 | standard |
| 7.16626 | 0.924377 | standard |
| 7.17736 | 1.00093 | standard |
| 7.31549 | 0.254547 | standard |
| 7.32562 | 0.551369 | standard |
| 7.33578 | 0.341619 | standard |
| 7.447 | 0.553224 | standard |
| 7.45762 | 0.873215 | standard |
| 7.46819 | 0.436761 | standard |
| 7.16665 | 0.932155 | standard |
| 7.17702 | 1.0 | standard |
| 7.31618 | 0.256963 | standard |
| 7.32569 | 0.555738 | standard |
| 7.33519 | 0.33861 | standard |
| 7.44762 | 0.546778 | standard |
| 7.45761 | 0.87752 | standard |
| 7.46748 | 0.439481 | standard |
| 7.16722 | 0.936704 | standard |
| 7.17647 | 1.00155 | standard |
| 7.31727 | 0.261819 | standard |
| 7.32576 | 0.563477 | standard |
| 7.33422 | 0.335095 | standard |
| 7.44867 | 0.539053 | standard |
| 7.45751 | 0.886037 | standard |
| 7.46635 | 0.446932 | standard |
| 7.16745 | 0.944979 | standard |
| 7.17623 | 1.00008 | standard |
| 7.31777 | 0.265303 | standard |
| 7.32579 | 0.567602 | standard |
| 7.3338 | 0.334589 | standard |
| 7.44913 | 0.545157 | standard |
| 7.45752 | 0.882015 | standard |
| 7.46587 | 0.450067 | standard |
| 7.16773 | 0.941764 | standard |
| 7.17598 | 1.00127 | standard |
| 7.31816 | 0.265128 | standard |
| 7.3258 | 0.56593 | standard |
| 7.33343 | 0.331057 | standard |
| 7.44953 | 0.540792 | standard |
| 7.45747 | 0.888005 | standard |
| 7.46541 | 0.453476 | standard |
| 7.1687 | 0.983738 | standard |
| 7.17509 | 1.00276 | standard |
| 7.32005 | 0.27817 | standard |
| 7.3259 | 0.58736 | standard |
| 7.33174 | 0.330042 | standard |
| 7.45127 | 0.535869 | standard |
| 7.45739 | 0.902733 | standard |
| 7.46354 | 0.478795 | standard |