3-Methoxybenzamide
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.01788 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C8H9NO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H2,9,10) | |
| Note 1 | 16?17 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 3-Methoxybenzamide | Solute | 100mM |
| methanol | Solvent | 100% |
| TMS | Reference | 0.05mM |
Spin System Matrix
| 12 | 13 | 14 | 16 | 15 | 17 | 18 | |
|---|---|---|---|---|---|---|---|
| 12 | 3.843 | -11.5 | -11.5 | 0 | 0 | 0 | 0 |
| 13 | 0 | 3.843 | -11.5 | 0 | 0 | 0 | 0 |
| 14 | 0 | 0 | 3.843 | 0 | 0 | 0 | 0 |
| 16 | 0 | 0 | 0 | 7.107 | 7.909 | 1.745 | 2.167 |
| 15 | 0 | 0 | 0 | 0 | 7.371 | 8.512 | 0 |
| 17 | 0 | 0 | 0 | 0 | 0 | 7.443 | 1.941 |
| 18 | 0 | 0 | 0 | 0 | 0 | 0 | 7.435 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 3.84277 | 1.0 | standard |
| 7.09514 | 0.0605114 | standard |
| 7.09862 | 0.0964807 | standard |
| 7.10221 | 0.0638013 | standard |
| 7.11072 | 0.0708274 | standard |
| 7.11427 | 0.10555 | standard |
| 7.11772 | 0.0680682 | standard |
| 7.35387 | 0.0583985 | standard |
| 7.36997 | 0.129244 | standard |
| 7.38617 | 0.0787517 | standard |
| 7.43395 | 0.301445 | standard |
| 7.43694 | 0.295641 | standard |
| 7.44918 | 0.0693745 | standard |
| 7.45254 | 0.0857143 | standard |