1,3-Dimethylimidazolidin-2-one
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.01676 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3 | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 1,3-Dimethylimidazolidin-2-one | 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 | 14 | 15 | 16 | 17 | 18 | |
|---|---|---|---|---|---|---|---|---|---|---|
| 9 | 2.721 | -14.0 | -14.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 10 | 0 | 2.721 | -14.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 11 | 0 | 0 | 2.721 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 12 | 0 | 0 | 0 | 2.721 | -14.0 | -14.0 | 0 | 0 | 0 | 0 |
| 13 | 0 | 0 | 0 | 0 | 2.721 | -14.0 | 0 | 0 | 0 | 0 |
| 14 | 0 | 0 | 0 | 0 | 0 | 2.721 | 0 | 0 | 0 | 0 |
| 15 | 0 | 0 | 0 | 0 | 0 | 0 | 3.352 | -14.0 | 6.7 | 6.7 |
| 16 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.352 | 6.7 | 6.7 |
| 17 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.352 | -14.0 |
| 18 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.352 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.72097 | 1.0 | standard |
| 3.35199 | 0.667107 | standard |
| 2.72097 | 1.0 | standard |
| 3.35199 | 0.667859 | standard |
| 2.72097 | 1.0 | standard |
| 3.35199 | 0.667615 | standard |
| 2.72097 | 1.0 | standard |
| 3.35199 | 0.66765 | standard |
| 2.72097 | 1.0 | standard |
| 3.35199 | 0.667707 | standard |
| 2.72097 | 1.0 | standard |
| 3.35199 | 0.667118 | standard |
| 2.72097 | 1.0 | standard |
| 3.35199 | 0.667368 | standard |
| 2.72097 | 1.0 | standard |
| 3.35199 | 0.667519 | standard |
| 2.72097 | 1.0 | standard |
| 3.35199 | 0.667206 | standard |
| 2.72097 | 1.0 | standard |
| 3.35199 | 0.667252 | standard |
| 2.72097 | 1.0 | standard |
| 3.35199 | 0.666763 | standard |
| 2.72097 | 1.0 | standard |
| 3.35199 | 0.66686 | standard |
| 2.72097 | 1.0 | standard |
| 3.35199 | 0.667972 | standard |
| 2.72097 | 1.0 | standard |
| 3.35199 | 0.667479 | standard |
| 2.72097 | 1.0 | standard |
| 3.35199 | 0.667349 | standard |
| 2.72097 | 1.0 | standard |
| 3.35199 | 0.666829 | standard |
| 2.72097 | 1.0 | standard |
| 3.35199 | 0.667854 | standard |
| 2.72097 | 1.0 | standard |
| 3.35199 | 0.667268 | standard |