Succinic-acid
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.01078 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) | |
| pKa | 4.21 | |
| pKa | 5.64 | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Succinic acid | Solute | 100mM |
| D2O | Solvent | 100% |
| sodium phosphate | Buffer | 50mM |
| sodium azide | Cytocide | 500uM |
| DSS | Reference | 0.1% |
Spin System Matrix
| 9 | 10 | 11 | 12 | |
|---|---|---|---|---|
| 9 | 2.391 | -12.4 | 8.6 | 8.6 |
| 10 | 0 | 2.391 | 8.6 | 8.6 |
| 11 | 0 | 0 | 2.391 | -12.4 |
| 12 | 0 | 0 | 0 | 2.391 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.39098 | 1.0 | standard |
| 2.39098 | 1.0 | standard |
| 2.39098 | 1.0 | standard |
| 2.39098 | 1.0 | standard |
| 2.39098 | 1.0 | standard |
| 2.39098 | 1.0 | standard |
| 2.39098 | 1.0 | standard |
| 2.39098 | 1.0 | standard |
| 2.39098 | 1.0 | standard |
| 2.39098 | 1.0 | standard |
| 2.39098 | 1.0 | standard |
| 2.39098 | 1.0 | standard |
| 2.39098 | 1.0 | standard |
| 2.39098 | 1.0 | standard |
| 2.39098 | 1.0 | standard |
| 2.39098 | 1.0 | standard |
| 2.39098 | 1.0 | standard |
| 2.39098 | 1.0 | standard |
| 2.39098 | 1.0 | standard |