3-Chloro-6-methylpyridazine
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.03567 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C5H5ClN2/c1-4-2-3-5(6)8-7-4/h2-3H,1H3 | |
| Note 1 | 12?13 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 3-Chloro-6-methylpyridazine | 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 | 2.645 | -14.0 | -14.0 | 0 | 0 |
| 10 | 0 | 2.645 | -14.0 | 0 | 0 |
| 11 | 0 | 0 | 2.645 | 0 | 0 |
| 12 | 0 | 0 | 0 | 7.755 | 8.48 |
| 13 | 0 | 0 | 0 | 0 | 7.687 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.64549 | 1.0 | standard |
| 7.6797 | 0.135172 | standard |
| 7.69387 | 0.203101 | standard |
| 7.74823 | 0.202543 | standard |
| 7.76241 | 0.133859 | standard |
| 2.64549 | 1.0 | standard |
| 7.50726 | 0.0163881 | standard |
| 7.72105 | 0.624086 | standard |
| 7.93495 | 0.0162761 | standard |
| 2.64549 | 1.0 | standard |
| 7.57312 | 0.0240831 | standard |
| 7.72105 | 0.527117 | standard |
| 7.86899 | 0.0236233 | standard |
| 2.64549 | 1.0 | standard |
| 7.6057 | 0.032845 | standard |
| 7.7135 | 0.40347 | standard |
| 7.72861 | 0.403424 | standard |
| 7.83641 | 0.03196 | standard |
| 2.64549 | 1.0 | standard |
| 7.61639 | 0.0371281 | standard |
| 7.71144 | 0.369825 | standard |
| 7.73067 | 0.369673 | standard |
| 7.82571 | 0.0371371 | standard |
| 2.64549 | 1.0 | standard |
| 7.62474 | 0.042645 | standard |
| 7.70995 | 0.345817 | standard |
| 7.73206 | 0.345817 | standard |
| 7.81726 | 0.042645 | standard |
| 2.64549 | 1.0 | standard |
| 7.66018 | 0.082101 | standard |
| 7.70261 | 0.26171 | standard |
| 7.73949 | 0.261611 | standard |
| 7.78192 | 0.0817288 | standard |
| 2.64549 | 1.0 | standard |
| 7.67058 | 0.105636 | standard |
| 7.69883 | 0.234347 | standard |
| 7.74327 | 0.23434 | standard |
| 7.77153 | 0.104986 | standard |
| 2.64549 | 1.0 | standard |
| 7.67524 | 0.119792 | standard |
| 7.69645 | 0.219534 | standard |
| 7.74565 | 0.21955 | standard |
| 7.76677 | 0.119983 | standard |
| 2.64549 | 1.0 | standard |
| 7.67801 | 0.128869 | standard |
| 7.69497 | 0.208273 | standard |
| 7.74714 | 0.209654 | standard |
| 7.76409 | 0.128081 | standard |
| 2.64549 | 1.0 | standard |
| 7.6797 | 0.135181 | standard |
| 7.69387 | 0.202319 | standard |
| 7.74823 | 0.203099 | standard |
| 7.76241 | 0.134638 | standard |
| 2.64549 | 1.0 | standard |
| 7.68089 | 0.139846 | standard |
| 7.69298 | 0.197101 | standard |
| 7.74903 | 0.198353 | standard |
| 7.76112 | 0.138911 | standard |
| 2.64549 | 1.0 | standard |
| 7.68138 | 0.141694 | standard |
| 7.69268 | 0.195764 | standard |
| 7.74942 | 0.196434 | standard |
| 7.76072 | 0.141387 | standard |
| 2.64549 | 1.0 | standard |
| 7.68178 | 0.143616 | standard |
| 7.69239 | 0.195075 | standard |
| 7.74972 | 0.195075 | standard |
| 7.76033 | 0.143618 | standard |
| 2.64549 | 1.0 | standard |
| 7.68247 | 0.146153 | standard |
| 7.69189 | 0.191932 | standard |
| 7.75022 | 0.191932 | standard |
| 7.75963 | 0.146162 | standard |
| 2.64549 | 1.0 | standard |
| 7.68277 | 0.147298 | standard |
| 7.69169 | 0.190592 | standard |
| 7.75041 | 0.190736 | standard |
| 7.75934 | 0.147195 | standard |
| 2.64549 | 1.0 | standard |
| 7.68297 | 0.148471 | standard |
| 7.69149 | 0.189749 | standard |
| 7.75061 | 0.189459 | standard |
| 7.75904 | 0.148496 | standard |
| 2.64549 | 1.0 | standard |
| 7.68406 | 0.152786 | standard |
| 7.6906 | 0.18432 | standard |
| 7.7515 | 0.184936 | standard |
| 7.75795 | 0.151822 | standard |