5-Chloropyridazin-3(2H)-one
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02515 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C4H3ClN2O/c5-3-1-4(8)7-6-2-3/h1-2H,(H,7,8) | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 5-Chloropyridazin-3(2H)-one | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 9 | 10 | |
|---|---|---|
| 9 | 7.222 | 2.5 |
| 10 | 0 | 8.083 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.22045 | 1.00006 | standard |
| 7.22444 | 1.00006 | standard |
| 8.08089 | 1.00006 | standard |
| 8.08488 | 1.00006 | standard |
| 7.19148 | 0.896974 | standard |
| 7.25142 | 1.0 | standard |
| 8.05381 | 1.0 | standard |
| 8.11375 | 0.896974 | standard |
| 7.20194 | 0.929507 | standard |
| 7.24203 | 0.99953 | standard |
| 8.06331 | 1.0 | standard |
| 8.10328 | 0.930036 | standard |
| 7.20715 | 0.947039 | standard |
| 7.23714 | 1.0 | standard |
| 8.06809 | 1.0 | standard |
| 8.09808 | 0.947039 | standard |
| 7.20886 | 0.952783 | standard |
| 7.23551 | 1.0 | standard |
| 8.06972 | 1.0 | standard |
| 8.09637 | 0.952783 | standard |
| 7.21028 | 0.957401 | standard |
| 7.23427 | 1.0 | standard |
| 8.07106 | 1.0 | standard |
| 8.09505 | 0.957401 | standard |
| 7.21635 | 1.00007 | standard |
| 7.22834 | 1.00007 | standard |
| 8.07689 | 1.00007 | standard |
| 8.08888 | 1.00007 | standard |
| 7.21835 | 1.00007 | standard |
| 7.22634 | 1.00007 | standard |
| 8.07889 | 1.00007 | standard |
| 8.08688 | 1.00007 | standard |
| 7.2194 | 1.00009 | standard |
| 7.22539 | 1.00009 | standard |
| 8.07983 | 0.996685 | standard |
| 8.08594 | 0.996685 | standard |
| 7.21996 | 0.995682 | standard |
| 7.22483 | 0.995682 | standard |
| 8.08051 | 1.0 | standard |
| 8.08526 | 1.0 | standard |
| 7.22045 | 1.00006 | standard |
| 7.22444 | 1.00006 | standard |
| 8.08089 | 1.00006 | standard |
| 8.08488 | 1.00006 | standard |
| 7.22073 | 1.00028 | standard |
| 7.22416 | 1.00028 | standard |
| 8.08117 | 1.00028 | standard |
| 8.0846 | 1.00028 | standard |
| 7.22083 | 1.00035 | standard |
| 7.22396 | 1.00035 | standard |
| 8.08126 | 0.993796 | standard |
| 8.08451 | 0.993796 | standard |
| 7.22092 | 1.00055 | standard |
| 7.22387 | 1.00055 | standard |
| 8.08136 | 0.993603 | standard |
| 8.08441 | 0.993603 | standard |
| 7.22111 | 1.00116 | standard |
| 7.22378 | 1.00116 | standard |
| 8.08155 | 1.00116 | standard |
| 8.08422 | 1.00116 | standard |
| 7.22111 | 0.993013 | standard |
| 7.22368 | 0.993013 | standard |
| 8.08165 | 1.00128 | standard |
| 8.08412 | 1.00128 | standard |
| 7.22121 | 1.00174 | standard |
| 7.22358 | 1.00174 | standard |
| 8.08164 | 0.99343 | standard |
| 8.08413 | 0.99343 | standard |
| 7.22149 | 1.00236 | standard |
| 7.2233 | 1.00236 | standard |
| 8.08193 | 0.991225 | standard |
| 8.08384 | 0.991225 | standard |