4,5-Dichloro-2-methyl-3(2H)-pyridazinone
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.01180 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C5H4Cl2N2O/c1-9-5(10)4(7)3(6)2-8-9/h2H,1H3 | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 4,5-Dichloro-2-methyl-3(2H)-pyridazinone | 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 | 3.808 | -14.0 | -14.0 | 0 |
| 12 | 0 | 3.808 | -14.0 | 0 |
| 13 | 0 | 0 | 3.808 | 0 |
| 14 | 0 | 0 | 0 | 8.107 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 3.80855 | 1.0 | standard |
| 8.10679 | 0.332221 | standard |
| 3.80855 | 1.0 | standard |
| 8.10679 | 0.333335 | standard |
| 3.80855 | 1.0 | standard |
| 8.10679 | 0.331483 | standard |
| 3.80855 | 1.0 | standard |
| 8.10679 | 0.333333 | standard |
| 3.80855 | 1.0 | standard |
| 8.10679 | 0.332119 | standard |
| 3.80855 | 1.0 | standard |
| 8.10679 | 0.33318 | standard |
| 3.80855 | 1.0 | standard |
| 8.10679 | 0.333332 | standard |
| 3.80855 | 1.0 | standard |
| 8.10679 | 0.333375 | standard |
| 3.80855 | 1.0 | standard |
| 8.10679 | 0.333333 | standard |
| 3.80855 | 1.0 | standard |
| 8.10679 | 0.333303 | standard |
| 3.80855 | 1.0 | standard |
| 8.10679 | 0.332482 | standard |
| 3.80855 | 1.0 | standard |
| 8.10679 | 0.331944 | standard |
| 3.80855 | 1.0 | standard |
| 8.10679 | 0.333539 | standard |
| 3.80855 | 1.0 | standard |
| 8.10679 | 0.333333 | standard |
| 3.80855 | 1.0 | standard |
| 8.10679 | 0.33327 | standard |
| 3.80855 | 1.0 | standard |
| 8.10679 | 0.334186 | standard |
| 3.80855 | 1.0 | standard |
| 8.10679 | 0.333304 | standard |
| 3.80855 | 1.0 | standard |
| 8.10679 | 0.333332 | standard |