6-Methyl-2,3-dihydropyridazin-3-one hydrate
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.03960 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C5H6N2O/c1-4-2-3-5(8)7-6-4/h2-3H,1H3,(H,7,8) | |
| Note 1 | 12?13 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 6-Methyl-2,3-dihydropyridazin-3-one hydrate | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 9 | 10 | 11 | 12 | 13 | |
|---|---|---|---|---|---|
| 9 | 2.359 | -14.0 | -14.0 | 0 | 0 |
| 10 | 0 | 2.359 | -14.0 | 0 | 0 |
| 11 | 0 | 0 | 2.359 | 0 | 0 |
| 12 | 0 | 0 | 0 | 7.029 | 10.801 |
| 13 | 0 | 0 | 0 | 0 | 7.515 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.35874 | 1.0 | standard |
| 7.01981 | 0.162413 | standard |
| 7.03786 | 0.172917 | standard |
| 7.50582 | 0.173637 | standard |
| 7.52377 | 0.160889 | standard |
| 2.35874 | 1.0 | standard |
| 6.85898 | 0.0878203 | standard |
| 7.12902 | 0.250411 | standard |
| 7.41465 | 0.250376 | standard |
| 7.68458 | 0.0877661 | standard |
| 2.35874 | 1.0 | standard |
| 6.92284 | 0.11106 | standard |
| 7.10282 | 0.226395 | standard |
| 7.44076 | 0.226483 | standard |
| 7.62075 | 0.111084 | standard |
| 2.35874 | 1.0 | standard |
| 6.95228 | 0.123969 | standard |
| 7.08725 | 0.212655 | standard |
| 7.45633 | 0.212634 | standard |
| 7.5913 | 0.122824 | standard |
| 2.35874 | 1.0 | standard |
| 6.9617 | 0.12838 | standard |
| 7.08169 | 0.207959 | standard |
| 7.46198 | 0.207782 | standard |
| 7.58188 | 0.128577 | standard |
| 2.35874 | 1.0 | standard |
| 6.96903 | 0.132304 | standard |
| 7.07703 | 0.203972 | standard |
| 7.46655 | 0.203926 | standard |
| 7.57454 | 0.132317 | standard |
| 2.35874 | 1.0 | standard |
| 7.00047 | 0.14936 | standard |
| 7.05452 | 0.186482 | standard |
| 7.48916 | 0.185819 | standard |
| 7.54311 | 0.149905 | standard |
| 2.35874 | 1.0 | standard |
| 7.01029 | 0.155884 | standard |
| 7.04629 | 0.179102 | standard |
| 7.49729 | 0.180185 | standard |
| 7.53329 | 0.154835 | standard |
| 2.35874 | 1.0 | standard |
| 7.01515 | 0.158889 | standard |
| 7.04212 | 0.176491 | standard |
| 7.50156 | 0.177167 | standard |
| 7.52853 | 0.158123 | standard |
| 2.35874 | 1.0 | standard |
| 7.01792 | 0.16159 | standard |
| 7.03954 | 0.175137 | standard |
| 7.50404 | 0.175073 | standard |
| 7.52565 | 0.161375 | standard |
| 2.35874 | 1.0 | standard |
| 7.01981 | 0.161253 | standard |
| 7.03786 | 0.171492 | standard |
| 7.50582 | 0.173405 | standard |
| 7.52377 | 0.161856 | standard |
| 2.35874 | 1.0 | standard |
| 7.0212 | 0.164786 | standard |
| 7.03657 | 0.171755 | standard |
| 7.50701 | 0.171727 | standard |
| 7.52248 | 0.164724 | standard |
| 2.35874 | 1.0 | standard |
| 7.02169 | 0.164838 | standard |
| 7.03607 | 0.17108 | standard |
| 7.50751 | 0.171331 | standard |
| 7.52199 | 0.164586 | standard |
| 2.35874 | 1.0 | standard |
| 7.02219 | 0.166185 | standard |
| 7.03567 | 0.169995 | standard |
| 7.508 | 0.17001 | standard |
| 7.52149 | 0.16617 | standard |
| 2.35874 | 1.0 | standard |
| 7.02288 | 0.166379 | standard |
| 7.03488 | 0.168288 | standard |
| 7.5087 | 0.169773 | standard |
| 7.5207 | 0.164702 | standard |
| 2.35874 | 1.0 | standard |
| 7.02328 | 0.167138 | standard |
| 7.03458 | 0.169026 | standard |
| 7.50899 | 0.169048 | standard |
| 7.5204 | 0.167069 | standard |
| 2.35874 | 1.0 | standard |
| 7.02358 | 0.167183 | standard |
| 7.03429 | 0.169014 | standard |
| 7.50929 | 0.168862 | standard |
| 7.5201 | 0.167133 | standard |
| 2.35874 | 1.0 | standard |
| 7.02477 | 0.168039 | standard |
| 7.0331 | 0.168076 | standard |
| 7.51048 | 0.167991 | standard |
| 7.51881 | 0.168075 | standard |