3-Amino-6-chloropyridine
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.03333 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C5H5ClN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2 | |
| Note 1 | 9, 10 overlap |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 3-Amino-6-chloropyridine | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 9 | 10 | 11 | |
|---|---|---|---|
| 9 | 7.256 | 7.0 | 1.568 |
| 10 | 0 | 7.256 | 0 |
| 11 | 0 | 0 | 7.853 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.25614 | 1.0001 | standard |
| 7.85289 | 0.464839 | standard |
| 7.25651 | 1.0 | standard |
| 7.85279 | 0.465574 | standard |
| 7.25631 | 1.0 | standard |
| 7.85282 | 0.465597 | standard |
| 7.25622 | 1.0 | standard |
| 7.85281 | 0.465676 | standard |
| 7.25615 | 1.0 | standard |
| 7.85284 | 0.464923 | standard |
| 7.25613 | 1.00001 | standard |
| 7.85287 | 0.464976 | standard |
| 7.25612 | 1.00004 | standard |
| 7.85288 | 0.463525 | standard |
| 7.25612 | 1.00009 | standard |
| 7.85288 | 0.462631 | standard |
| 7.25612 | 1.00016 | standard |
| 7.85288 | 0.46842 | standard |
| 7.25612 | 1.00024 | standard |
| 7.85288 | 0.469384 | standard |
| 7.25614 | 1.0001 | standard |
| 7.85289 | 0.464839 | standard |
| 7.25614 | 1.00015 | standard |
| 7.85289 | 0.464973 | standard |
| 7.25615 | 1.00011 | standard |
| 7.85288 | 0.465243 | standard |
| 7.25612 | 1.00063 | standard |
| 7.85287 | 0.465351 | standard |
| 7.25612 | 1.00077 | standard |
| 7.85288 | 0.472964 | standard |
| 7.25615 | 1.00016 | standard |
| 7.85288 | 0.465107 | standard |
| 7.25612 | 1.00099 | standard |
| 7.85287 | 0.465678 | standard |
| 7.25615 | 1.00023 | standard |
| 7.85287 | 0.476029 | standard |