Benzenesulfonamide
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.04522 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9) | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Benzenesulfonamide | 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 | 15 | |
|---|---|---|---|---|---|
| 11 | 7.707 | 7.836 | 7.836 | 0 | 0 |
| 12 | 0 | 7.631 | 1.5 | 7.929 | 0 |
| 13 | 0 | 0 | 7.631 | 0 | 7.929 |
| 14 | 0 | 0 | 0 | 7.925 | 1.5 |
| 15 | 0 | 0 | 0 | 0 | 7.925 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.6175 | 0.376902 | standard |
| 7.6305 | 0.903158 | standard |
| 7.64334 | 0.598507 | standard |
| 7.69507 | 0.410001 | standard |
| 7.7079 | 0.466591 | standard |
| 7.72094 | 0.213504 | standard |
| 7.91848 | 1.0005 | standard |
| 7.93148 | 0.915247 | standard |
| 7.33041 | 0.0234051 | standard |
| 7.56379 | 0.216818 | standard |
| 7.70533 | 1.0 | standard |
| 7.79331 | 0.553347 | standard |
| 7.84772 | 0.603498 | standard |
| 8.03245 | 0.16449 | standard |
| 7.43763 | 0.0369881 | standard |
| 7.59553 | 0.33252 | standard |
| 7.6895 | 1.0 | standard |
| 7.87106 | 0.541483 | standard |
| 7.99034 | 0.269378 | standard |
| 7.49059 | 0.0510033 | standard |
| 7.55353 | 0.109896 | standard |
| 7.60804 | 0.388732 | standard |
| 7.67939 | 1.0 | standard |
| 7.80422 | 0.0929183 | standard |
| 7.88296 | 0.538861 | standard |
| 7.89907 | 0.463696 | standard |
| 7.94513 | 0.248148 | standard |
| 7.97406 | 0.341889 | standard |
| 7.50815 | 0.0565634 | standard |
| 7.56376 | 0.110605 | standard |
| 7.61219 | 0.398049 | standard |
| 7.6766 | 1.0 | standard |
| 7.81087 | 0.0933017 | standard |
| 7.88705 | 0.536054 | standard |
| 7.89994 | 0.478194 | standard |
| 7.96875 | 0.362994 | standard |
| 7.52204 | 0.0624166 | standard |
| 7.56171 | 0.105073 | standard |
| 7.57358 | 0.108582 | standard |
| 7.61535 | 0.403575 | standard |
| 7.67498 | 1.00001 | standard |
| 7.80091 | 0.069314 | standard |
| 7.89036 | 0.53395 | standard |
| 7.90033 | 0.489577 | standard |
| 7.96446 | 0.381209 | standard |
| 7.59294 | 0.20938 | standard |
| 7.62627 | 0.703564 | standard |
| 7.66161 | 0.869571 | standard |
| 7.67936 | 0.719395 | standard |
| 7.70794 | 0.264859 | standard |
| 7.71449 | 0.271286 | standard |
| 7.75308 | 0.119553 | standard |
| 7.84621 | 0.020013 | standard |
| 7.90761 | 1.0 | standard |
| 7.94439 | 0.818603 | standard |
| 7.60393 | 0.256404 | standard |
| 7.62866 | 0.751596 | standard |
| 7.65362 | 0.690019 | standard |
| 7.68598 | 0.529902 | standard |
| 7.71086 | 0.333161 | standard |
| 7.73657 | 0.151951 | standard |
| 7.91293 | 1.00012 | standard |
| 7.9381 | 0.847198 | standard |
| 7.61049 | 0.305181 | standard |
| 7.62969 | 0.812294 | standard |
| 7.64876 | 0.634375 | standard |
| 7.69012 | 0.468779 | standard |
| 7.70918 | 0.387811 | standard |
| 7.72864 | 0.180134 | standard |
| 7.91563 | 1.00005 | standard |
| 7.93478 | 0.874295 | standard |
| 7.61468 | 0.347253 | standard |
| 7.63019 | 0.861964 | standard |
| 7.64559 | 0.60318 | standard |
| 7.69299 | 0.4309 | standard |
| 7.70834 | 0.432301 | standard |
| 7.72399 | 0.19841 | standard |
| 7.91736 | 1.00003 | standard |
| 7.9328 | 0.895004 | standard |
| 7.6175 | 0.376902 | standard |
| 7.6305 | 0.903158 | standard |
| 7.64334 | 0.598509 | standard |
| 7.69507 | 0.410002 | standard |
| 7.7079 | 0.466591 | standard |
| 7.72094 | 0.213503 | standard |
| 7.91848 | 1.0005 | standard |
| 7.93148 | 0.915246 | standard |
| 7.61951 | 0.395601 | standard |
| 7.63067 | 0.916355 | standard |
| 7.64176 | 0.583417 | standard |
| 7.69656 | 0.391423 | standard |
| 7.70763 | 0.491767 | standard |
| 7.71884 | 0.223467 | standard |
| 7.91935 | 1.00018 | standard |
| 7.93051 | 0.929725 | standard |
| 7.62032 | 0.40244 | standard |
| 7.63072 | 0.927797 | standard |
| 7.64111 | 0.578524 | standard |
| 7.69718 | 0.385376 | standard |
| 7.70757 | 0.497846 | standard |
| 7.71799 | 0.227998 | standard |
| 7.91974 | 1.00008 | standard |
| 7.93012 | 0.933472 | standard |
| 7.62098 | 0.407721 | standard |
| 7.63079 | 0.932622 | standard |
| 7.64049 | 0.577268 | standard |
| 7.69777 | 0.379224 | standard |
| 7.70747 | 0.506134 | standard |
| 7.71725 | 0.231642 | standard |
| 7.92003 | 1.00002 | standard |
| 7.92978 | 0.938213 | standard |
| 7.62217 | 0.422348 | standard |
| 7.63085 | 0.943252 | standard |
| 7.63951 | 0.559762 | standard |
| 7.69872 | 0.36844 | standard |
| 7.70736 | 0.516841 | standard |
| 7.71606 | 0.237499 | standard |
| 7.92056 | 1.00102 | standard |
| 7.92925 | 0.938378 | standard |
| 7.62265 | 0.434129 | standard |
| 7.6309 | 0.95034 | standard |
| 7.63908 | 0.56917 | standard |
| 7.69911 | 0.367812 | standard |
| 7.70733 | 0.528209 | standard |
| 7.71552 | 0.242887 | standard |
| 7.92076 | 1.00142 | standard |
| 7.929 | 0.963981 | standard |
| 7.6231 | 0.449228 | standard |
| 7.6309 | 0.973338 | standard |
| 7.63872 | 0.567825 | standard |
| 7.69946 | 0.368495 | standard |
| 7.70728 | 0.539636 | standard |
| 7.7151 | 0.24858 | standard |
| 7.92096 | 1.00134 | standard |
| 7.9288 | 0.982292 | standard |
| 7.62497 | 0.463893 | standard |
| 7.63102 | 0.981605 | standard |
| 7.637 | 0.55186 | standard |
| 7.70112 | 0.351763 | standard |
| 7.7071 | 0.559473 | standard |
| 7.71311 | 0.259229 | standard |
| 7.92184 | 1.00127 | standard |
| 7.92783 | 0.984888 | standard |