4-Methoxybenzamide
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.03097 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C8H9NO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H2,9,10) | |
| Note 1 | 15,16?17,18 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 4-Methoxybenzamide | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 12 | 13 | 14 | 15 | 16 | 17 | 18 | |
|---|---|---|---|---|---|---|---|
| 12 | 3.892 | -14.0 | -14.0 | 0 | 0 | 0 | 0 |
| 13 | 0 | 3.892 | -14.0 | 0 | 0 | 0 | 0 |
| 14 | 0 | 0 | 3.892 | 0 | 0 | 0 | 0 |
| 15 | 0 | 0 | 0 | 7.821 | 1.5 | 9.286 | 0 |
| 16 | 0 | 0 | 0 | 0 | 7.821 | 0 | 9.286 |
| 17 | 0 | 0 | 0 | 0 | 0 | 7.084 | 1.5 |
| 18 | 0 | 0 | 0 | 0 | 0 | 0 | 7.084 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 3.89147 | 1.0 | standard |
| 7.0765 | 0.282046 | standard |
| 7.09187 | 0.282139 | standard |
| 7.81315 | 0.283351 | standard |
| 7.82852 | 0.282052 | standard |
| 3.89147 | 1.0 | standard |
| 6.95048 | 0.19984 | standard |
| 7.18247 | 0.363834 | standard |
| 7.72251 | 0.363863 | standard |
| 7.95442 | 0.199815 | standard |
| 3.89147 | 1.0 | standard |
| 6.99918 | 0.226153 | standard |
| 7.15336 | 0.337794 | standard |
| 7.75166 | 0.337737 | standard |
| 7.90576 | 0.226178 | standard |
| 3.89147 | 1.0 | standard |
| 7.02201 | 0.239784 | standard |
| 7.13746 | 0.324483 | standard |
| 7.76752 | 0.324357 | standard |
| 7.88297 | 0.239684 | standard |
| 3.89147 | 1.0 | standard |
| 7.02933 | 0.24416 | standard |
| 7.13193 | 0.320076 | standard |
| 7.77302 | 0.320139 | standard |
| 7.87558 | 0.244155 | standard |
| 3.89147 | 1.0 | standard |
| 7.03518 | 0.247918 | standard |
| 7.12746 | 0.316539 | standard |
| 7.77745 | 0.316374 | standard |
| 7.86984 | 0.247907 | standard |
| 3.89147 | 1.0 | standard |
| 7.06044 | 0.265753 | standard |
| 7.10654 | 0.298722 | standard |
| 7.79838 | 0.298713 | standard |
| 7.84451 | 0.265918 | standard |
| 3.89147 | 1.0 | standard |
| 7.06851 | 0.273272 | standard |
| 7.09925 | 0.291417 | standard |
| 7.80566 | 0.290951 | standard |
| 7.83639 | 0.273729 | standard |
| 3.89147 | 1.0 | standard |
| 7.07256 | 0.278595 | standard |
| 7.09561 | 0.286039 | standard |
| 7.80941 | 0.285784 | standard |
| 7.83246 | 0.278593 | standard |
| 3.89147 | 1.0 | standard |
| 7.07492 | 0.281641 | standard |
| 7.09334 | 0.28305 | standard |
| 7.81168 | 0.284109 | standard |
| 7.83009 | 0.280579 | standard |
| 3.89147 | 1.0 | standard |
| 7.0765 | 0.282065 | standard |
| 7.09187 | 0.28214 | standard |
| 7.81315 | 0.283371 | standard |
| 7.82852 | 0.282053 | standard |
| 3.89147 | 1.0 | standard |
| 7.07758 | 0.282516 | standard |
| 7.09078 | 0.282756 | standard |
| 7.81424 | 0.282817 | standard |
| 7.82733 | 0.282576 | standard |
| 3.89147 | 1.0 | standard |
| 7.07807 | 0.282034 | standard |
| 7.09028 | 0.282163 | standard |
| 7.81463 | 0.282545 | standard |
| 7.82694 | 0.282407 | standard |
| 3.89147 | 1.0 | standard |
| 7.07847 | 0.283857 | standard |
| 7.08999 | 0.282717 | standard |
| 7.81502 | 0.282236 | standard |
| 7.82655 | 0.282102 | standard |
| 3.89147 | 1.0 | standard |
| 7.07906 | 0.282891 | standard |
| 7.0893 | 0.282363 | standard |
| 7.81561 | 0.282891 | standard |
| 7.82586 | 0.282362 | standard |
| 3.89147 | 1.0 | standard |
| 7.07935 | 0.282826 | standard |
| 7.089 | 0.282909 | standard |
| 7.81591 | 0.28341 | standard |
| 7.82566 | 0.281332 | standard |
| 3.89147 | 1.0 | standard |
| 7.07955 | 0.282092 | standard |
| 7.08881 | 0.281502 | standard |
| 7.8161 | 0.282093 | standard |
| 7.82537 | 0.281501 | standard |
| 3.89147 | 1.0 | standard |
| 7.08063 | 0.282163 | standard |
| 7.08772 | 0.284294 | standard |
| 7.81719 | 0.28219 | standard |
| 7.82428 | 0.281424 | standard |