1-Methyl-1H-imidazole-4-carbonitrile
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.03666 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 1-Methyl-1H-imidazole-4-carbonitrile | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 9 | 10 | 11 | 12 | 13 | |
|---|---|---|---|---|---|
| 9 | 3.759 | -14.0 | -14.0 | 0 | 0 |
| 10 | 0 | 3.759 | -14.0 | 0 | 0 |
| 11 | 0 | 0 | 3.759 | 0 | 0 |
| 12 | 0 | 0 | 0 | 7.728 | 0.4 |
| 13 | 0 | 0 | 0 | 0 | 7.837 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 3.75906 | 1.0 | standard |
| 7.72755 | 0.315749 | standard |
| 7.83735 | 0.318614 | standard |
| 3.75906 | 1.0 | standard |
| 7.72818 | 0.33604 | standard |
| 7.83666 | 0.337249 | standard |
| 3.75906 | 1.0 | standard |
| 7.72776 | 0.328202 | standard |
| 7.83714 | 0.328203 | standard |
| 3.75906 | 1.0 | standard |
| 7.72764 | 0.324602 | standard |
| 7.83725 | 0.324464 | standard |
| 3.75906 | 1.0 | standard |
| 7.72756 | 0.323445 | standard |
| 7.83724 | 0.323565 | standard |
| 3.75906 | 1.0 | standard |
| 7.72759 | 0.323341 | standard |
| 7.83731 | 0.323332 | standard |
| 3.75906 | 1.0 | standard |
| 7.72749 | 0.319394 | standard |
| 7.83735 | 0.320157 | standard |
| 3.75906 | 1.0 | standard |
| 7.72755 | 0.321481 | standard |
| 7.83735 | 0.321543 | standard |
| 3.75906 | 1.0 | standard |
| 7.7275 | 0.320287 | standard |
| 7.8373 | 0.319731 | standard |
| 3.75906 | 1.0 | standard |
| 7.7275 | 0.319518 | standard |
| 7.8373 | 0.320322 | standard |
| 3.75906 | 1.0 | standard |
| 7.72755 | 0.318849 | standard |
| 7.83735 | 0.318903 | standard |
| 3.75906 | 1.0 | standard |
| 7.7275 | 0.319415 | standard |
| 7.8373 | 0.319527 | standard |
| 3.75906 | 1.0 | standard |
| 7.72755 | 0.322149 | standard |
| 7.83735 | 0.322148 | standard |
| 3.75906 | 1.0 | standard |
| 7.72755 | 0.32057 | standard |
| 7.83735 | 0.320783 | standard |
| 3.75906 | 1.0 | standard |
| 7.72755 | 0.317185 | standard |
| 7.83735 | 0.316779 | standard |
| 3.75906 | 1.0 | standard |
| 7.7275 | 0.320437 | standard |
| 7.8373 | 0.320545 | standard |
| 3.75906 | 1.0 | standard |
| 7.7275 | 0.317718 | standard |
| 7.8373 | 0.320247 | standard |
| 3.75906 | 1.0 | standard |
| 7.72755 | 0.321302 | standard |
| 7.83735 | 0.321303 | standard |