Imidazole
Simulation outputs:
|
Parameter | Value |
| Field strength | 400.13(MHz) | |
| RMSD of the fit | 0.00929 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5) | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Imidazole | Solute | 100mM |
| D2O | Solvent | 100% |
| sodium phosphate | Buffer | 50mM |
| sodium azide | Cytocide | 500uM |
| DSS | Reference | 500uM |
Spin System Matrix
| 6 | 7 | 8 | |
|---|---|---|---|
| 6 | 7.255 | 7.49 | 2.119 |
| 7 | 0 | 7.255 | 0.402 |
| 8 | 0 | 0 | 8.109 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.25525 | 1.00001 | standard |
| 8.10952 | 0.465037 | standard |
| -0.992516 | 5.0125e-05 | standard |
| 7.25598 | 1.0 | standard |
| 8.10937 | 0.466056 | standard |
| -0.973274 | 2.2125e-05 | standard |
| 7.25561 | 1.0 | standard |
| 8.10943 | 0.465653 | standard |
| -0.931119 | 1.2125e-05 | standard |
| 7.25546 | 1.0 | standard |
| 8.10947 | 0.465391 | standard |
| -0.968017 | 1.0125e-05 | standard |
| 7.25543 | 1.0 | standard |
| 8.10947 | 0.465621 | standard |
| -0.947584 | 8.125e-06 | standard |
| 7.25534 | 1.0 | standard |
| 8.10945 | 0.463319 | standard |
| -0.764883 | 2.125e-06 | standard |
| 7.25525 | 1.0 | standard |
| 8.10958 | 0.46501 | standard |
| -0.550045 | 1.125e-06 | standard |
| 7.25528 | 1.0 | standard |
| 8.10952 | 0.463459 | standard |
| 7.25525 | 1.00001 | standard |
| 8.10952 | 0.465042 | standard |
| 7.25528 | 1.0 | standard |
| 8.10952 | 0.462422 | standard |
| 7.25528 | 1.0 | standard |
| 8.10945 | 0.461891 | standard |
| 7.25528 | 1.0 | standard |
| 8.10945 | 0.461306 | standard |
| 7.25528 | 1.0 | standard |
| 8.10947 | 0.46494 | standard |
| 7.25528 | 1.0 | standard |
| 8.10946 | 0.469138 | standard |
| 7.25528 | 1.0 | standard |
| 8.10945 | 0.460276 | standard |
| 7.2553 | 1.00011 | standard |
| 8.10945 | 0.464961 | standard |
| 7.25528 | 1.0 | standard |
| 8.10946 | 0.470227 | standard |
| 7.2553 | 1.00015 | standard |
| 8.10945 | 0.465209 | standard |
| 7.25528 | 1.0 | standard |
| 8.10946 | 0.471736 | standard |