Rhodanine
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.00915 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6) | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| rhodanine | Solute | 100mM |
| methanol | Solvent | 100% |
| TMS | Reference | 0.05mM |
Spin System Matrix
| 8 | 9 | |
|---|---|---|
| 8 | 4.17 | 0 |
| 9 | 0 | 4.17 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 4.17018 | 1.0 | standard |
| 4.17018 | 1.0 | standard |
| 4.17018 | 1.0 | standard |
| 4.17018 | 1.0 | standard |
| 4.17018 | 1.0 | standard |
| 4.17018 | 1.0 | standard |
| 4.17018 | 1.0 | standard |
| 4.17018 | 1.0 | standard |
| 4.17018 | 1.0 | standard |
| 4.17018 | 1.0 | standard |
| 4.17018 | 1.0 | standard |
| 4.17018 | 1.0 | standard |
| 4.17018 | 1.0 | standard |
| 4.17018 | 1.0 | standard |
| 4.17018 | 1.0 | standard |
| 4.17018 | 1.0 | standard |
| 4.17018 | 1.0 | standard |
| 4.17018 | 1.0 | standard |
| 4.17018 | 1.0 | standard |