2-Hydroxy-4,6-dimethylnicotinonitrile
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.01413 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C8H8N2O/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,1-2H3,(H,10,11) | |
| Note 1 | 15,16,17?12,13,14 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 2-Hydroxy-4,6-dimethylnicotinonitrile | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 12 | 13 | 14 | 15 | 16 | 17 | 18 | |
|---|---|---|---|---|---|---|---|
| 12 | 2.358 | -14.0 | -14.0 | 0 | 0 | 0 | 0 |
| 13 | 0 | 2.358 | -14.0 | 0 | 0 | 0 | 0 |
| 14 | 0 | 0 | 2.358 | 0 | 0 | 0 | 0 |
| 15 | 0 | 0 | 0 | 2.432 | -14.0 | -14.0 | 0 |
| 16 | 0 | 0 | 0 | 0 | 2.432 | -14.0 | 0 |
| 17 | 0 | 0 | 0 | 0 | 0 | 2.432 | 0 |
| 18 | 0 | 0 | 0 | 0 | 0 | 0 | 6.424 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.35835 | 1.0 | standard |
| 2.43155 | 0.999466 | standard |
| 6.42419 | 0.331254 | standard |
| 2.35917 | 1.0 | standard |
| 2.43072 | 0.999197 | standard |
| 6.42419 | 0.300218 | standard |
| 2.35852 | 1.0 | standard |
| 2.43137 | 0.998718 | standard |
| 6.42419 | 0.31586 | standard |
| 2.3584 | 1.00001 | standard |
| 2.43149 | 0.99984 | standard |
| 6.42419 | 0.322859 | standard |
| 2.35838 | 1.00001 | standard |
| 2.43151 | 0.999644 | standard |
| 6.42419 | 0.32482 | standard |
| 2.35837 | 1.00001 | standard |
| 2.43152 | 0.999567 | standard |
| 6.42419 | 0.325986 | standard |
| 2.35835 | 1.0 | standard |
| 2.43154 | 0.99991 | standard |
| 6.42419 | 0.329823 | standard |
| 2.35835 | 1.0 | standard |
| 2.43155 | 0.999261 | standard |
| 6.42419 | 0.331707 | standard |
| 2.35835 | 0.999746 | standard |
| 2.43155 | 1.0 | standard |
| 6.42419 | 0.331333 | standard |
| 2.35835 | 1.0 | standard |
| 2.43155 | 0.999529 | standard |
| 6.42419 | 0.332309 | standard |
| 2.35835 | 1.0 | standard |
| 2.43155 | 0.998746 | standard |
| 6.42419 | 0.332391 | standard |
| 2.35835 | 1.0 | standard |
| 2.43155 | 0.998504 | standard |
| 6.42419 | 0.330957 | standard |
| 2.35835 | 1.0 | standard |
| 2.43155 | 0.998764 | standard |
| 6.42419 | 0.331757 | standard |
| 2.35835 | 1.0 | standard |
| 2.43155 | 0.999813 | standard |
| 6.42419 | 0.331979 | standard |
| 2.35835 | 1.0 | standard |
| 2.43155 | 0.998162 | standard |
| 6.42419 | 0.332656 | standard |
| 2.35835 | 0.99917 | standard |
| 2.43155 | 1.0 | standard |
| 6.42419 | 0.33189 | standard |
| 2.35835 | 0.999669 | standard |
| 2.43155 | 1.0 | standard |
| 6.42419 | 0.332282 | standard |
| 2.35835 | 0.999157 | standard |
| 2.43155 | 1.0 | standard |
| 6.42419 | 0.331887 | standard |