2-2-Dimethylsuccinic-acid
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.00449 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10) | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 2,2-dimethylsuccinic acid | Solute | 100mM |
| D2O | Solvent | 100% |
| sodium phosphate | Buffer | 50mM |
| sodium azide | Cytocide | 500uM |
| DSS | Reference | 500uM |
Spin System Matrix
| 11 | 12 | 13 | 14 | 15 | 16 | 17 | 18 | |
|---|---|---|---|---|---|---|---|---|
| 11 | 1.153 | -12.5 | -12.5 | 0 | 0 | 0 | 0 | 0 |
| 12 | 0 | 1.153 | -12.5 | 0 | 0 | 0 | 0 | 0 |
| 13 | 0 | 0 | 1.153 | 0 | 0 | 0 | 0 | 0 |
| 14 | 0 | 0 | 0 | 1.153 | -12.5 | -12.5 | 0 | 0 |
| 15 | 0 | 0 | 0 | 0 | 1.153 | -12.5 | 0 | 0 |
| 16 | 0 | 0 | 0 | 0 | 0 | 1.153 | 0 | 0 |
| 17 | 0 | 0 | 0 | 0 | 0 | 0 | 2.379 | -12.4 |
| 18 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2.379 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 1.15254 | 1.0 | standard |
| 2.37937 | 0.333068 | standard |
| 1.15254 | 1.0 | standard |
| 2.37937 | 0.333212 | standard |
| 1.15254 | 1.0 | standard |
| 2.37937 | 0.33267 | standard |
| 1.15254 | 1.0 | standard |
| 2.37937 | 0.332866 | standard |
| 1.15254 | 1.0 | standard |
| 2.37937 | 0.333061 | standard |
| 1.15254 | 1.0 | standard |
| 2.37937 | 0.333262 | standard |
| 1.15254 | 1.0 | standard |
| 2.37937 | 0.332898 | standard |
| 1.15254 | 1.0 | standard |
| 2.37937 | 0.332978 | standard |
| 1.15254 | 1.0 | standard |
| 2.37937 | 0.332899 | standard |
| 1.15254 | 1.0 | standard |
| 2.37937 | 0.333026 | standard |
| 1.15254 | 1.0 | standard |
| 2.37937 | 0.332534 | standard |
| 1.15254 | 1.0 | standard |
| 2.37937 | 0.333192 | standard |
| 1.15254 | 1.0 | standard |
| 2.37937 | 0.332771 | standard |
| 1.15254 | 1.0 | standard |
| 2.37937 | 0.332909 | standard |
| 1.15254 | 1.0 | standard |
| 2.37937 | 0.333232 | standard |
| 1.15254 | 1.0 | standard |
| 2.37937 | 0.33303 | standard |
| 1.15254 | 1.0 | standard |
| 2.37937 | 0.332778 | standard |
| 1.15254 | 1.0 | standard |
| 2.37937 | 0.332863 | standard |
| 1.15254 | 1.0 | standard |
| 2.37937 | 0.332706 | standard |