(2,6-Dichloro-4-pyridyl)methanol
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.20771 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H5Cl2NO/c7-5-1-4(3-10)2-6(8)9-5/h1-2,10H,3H2 | |
| Note 1 | 13,14 @ 3.68? | |
| Note 2 | HSQC |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| (2,6-Dichloro-4-pyridyl)methanol | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 11 | 12 | 13 | 14 | |
|---|---|---|---|---|
| 11 | 7.441 | 1.5 | 0 | 0 |
| 12 | 0 | 7.441 | 0 | 0 |
| 13 | 0 | 0 | 4.525 | 11.11 |
| 14 | 0 | 0 | 0 | 4.525 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
Help
To zoom into a region, draw a box around it.Hover over the x/y-axis and use mouse-wheel to zoom in/out.
Hover over the x/y-axis hold down left-button to move around the spectra.
(De)activate a spectrum by clicking on its legend.
| PPM | Amplitude | Peak Type |
|---|---|---|
| 4.52517 | 0.999934 | standard |
| 7.44115 | 1.0 | standard |
| 4.52517 | 1.0 | standard |
| 7.44115 | 1.0 | standard |
| 4.52517 | 0.999999 | standard |
| 7.44115 | 1.0 | standard |
| 4.52517 | 0.999999 | standard |
| 7.44115 | 1.0 | standard |
| 4.52517 | 0.999999 | standard |
| 7.44115 | 1.0 | standard |
| 4.52517 | 0.999998 | standard |
| 7.44115 | 1.0 | standard |
| 4.52517 | 0.999993 | standard |
| 7.44115 | 1.0 | standard |
| 4.52517 | 0.999984 | standard |
| 7.44115 | 1.0 | standard |
| 4.52517 | 0.999971 | standard |
| 7.44115 | 1.0 | standard |
| 4.52517 | 0.999954 | standard |
| 7.44115 | 1.0 | standard |
| 4.52517 | 0.999934 | standard |
| 7.44115 | 1.0 | standard |
| 4.52517 | 0.999911 | standard |
| 7.44115 | 1.0 | standard |
| 4.52517 | 0.999897 | standard |
| 7.44115 | 1.0 | standard |
| 4.52517 | 0.999883 | standard |
| 7.44115 | 1.0 | standard |
| 4.52517 | 0.999852 | standard |
| 7.44115 | 1.0 | standard |
| 4.52517 | 0.999836 | standard |
| 7.44115 | 1.0 | standard |
| 4.52517 | 0.999818 | standard |
| 7.44115 | 1.0 | standard |
| 4.52517 | 0.999692 | standard |
| 7.44115 | 1.0 | standard |