2,6-Dichloronicotinic acid
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02032 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H3Cl2NO2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2H,(H,10,11) | |
| Note 1 | 12?13 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 2,6-Dichloronicotinic acid | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 12 | 13 | |
|---|---|---|
| 12 | 7.492 | 8.5 |
| 13 | 0 | 7.872 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.48509 | 0.929893 | standard |
| 7.49927 | 1.0 | standard |
| 7.86458 | 1.0 | standard |
| 7.87876 | 0.929893 | standard |
| 7.35846 | 0.354248 | standard |
| 7.57091 | 1.0 | standard |
| 7.79304 | 1.0 | standard |
| 8.00549 | 0.354248 | standard |
| 7.40877 | 0.491716 | standard |
| 7.55035 | 1.0 | standard |
| 7.8135 | 0.999991 | standard |
| 7.95518 | 0.491696 | standard |
| 7.43196 | 0.58405 | standard |
| 7.53814 | 1.0 | standard |
| 7.8258 | 1.0 | standard |
| 7.93199 | 0.58405 | standard |
| 7.43939 | 0.619176 | standard |
| 7.53378 | 1.0 | standard |
| 7.83017 | 1.0 | standard |
| 7.92455 | 0.619176 | standard |
| 7.44514 | 0.649004 | standard |
| 7.53011 | 1.0 | standard |
| 7.83374 | 1.0 | standard |
| 7.91871 | 0.649004 | standard |
| 7.46992 | 0.804451 | standard |
| 7.51236 | 1.0 | standard |
| 7.85149 | 0.999952 | standard |
| 7.89402 | 0.804389 | standard |
| 7.47766 | 0.864793 | standard |
| 7.50601 | 1.0 | standard |
| 7.85794 | 1.0 | standard |
| 7.88629 | 0.864793 | standard |
| 7.48142 | 0.896746 | standard |
| 7.50264 | 1.0 | standard |
| 7.86121 | 0.999891 | standard |
| 7.88252 | 0.896622 | standard |
| 7.4837 | 0.916496 | standard |
| 7.50066 | 1.0 | standard |
| 7.86329 | 1.0 | standard |
| 7.88024 | 0.916496 | standard |
| 7.48509 | 0.929892 | standard |
| 7.49927 | 1.0 | standard |
| 7.86458 | 1.0 | standard |
| 7.87876 | 0.929892 | standard |
| 7.48618 | 0.93961 | standard |
| 7.49828 | 1.0 | standard |
| 7.86557 | 0.999799 | standard |
| 7.87777 | 0.939393 | standard |
| 7.48658 | 0.943515 | standard |
| 7.49788 | 1.0 | standard |
| 7.86597 | 0.999784 | standard |
| 7.87737 | 0.943284 | standard |
| 7.48698 | 0.946946 | standard |
| 7.49758 | 1.0 | standard |
| 7.86636 | 1.0 | standard |
| 7.87697 | 0.946946 | standard |
| 7.48757 | 0.952701 | standard |
| 7.49699 | 1.0 | standard |
| 7.86696 | 1.0 | standard |
| 7.87638 | 0.952701 | standard |
| 7.48777 | 0.95484 | standard |
| 7.49679 | 0.999724 | standard |
| 7.86716 | 1.0 | standard |
| 7.87608 | 0.955133 | standard |
| 7.48807 | 0.957341 | standard |
| 7.49649 | 1.0 | standard |
| 7.86735 | 0.999703 | standard |
| 7.87588 | 0.957029 | standard |
| 7.48906 | 1.0 | standard |
| 7.4956 | 1.0 | standard |
| 7.86835 | 1.0 | standard |
| 7.87489 | 1.0 | standard |