2,2-Dimethyl-N-(4-pyridinyl)propanamide
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02219 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C10H14N2O/c1-10(2,3)9(13)12-8-4-6-11-7-5-8/h4-7H,1-3H3,(H,11,12,13) | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 2,2-Dimethyl-N-(4-pyridinyl)propanamide | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 14 | 15 | 16 | 17 | 18 | 19 | 20 | 21 | 22 | 23 | 24 | 25 | 26 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 14 | 1.292 | -14.0 | -14.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 15 | 0 | 1.292 | -14.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 16 | 0 | 0 | 1.292 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 17 | 0 | 0 | 0 | 1.292 | -14.0 | -14.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 18 | 0 | 0 | 0 | 0 | 1.292 | -14.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 19 | 0 | 0 | 0 | 0 | 0 | 1.292 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 20 | 0 | 0 | 0 | 0 | 0 | 0 | 1.292 | -14.0 | -14.0 | 0 | 0 | 0 | 0 |
| 21 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1.292 | -14.0 | 0 | 0 | 0 | 0 |
| 22 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1.292 | 0 | 0 | 0 | 0 |
| 23 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.604 | 1.5 | 7.218 | 0 |
| 24 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.604 | 0 | 4.488 |
| 25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8.447 | 1.5 |
| 26 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8.447 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 1.2916 | 1.0 | standard |
| 7.59902 | 0.0780012 | standard |
| 7.60857 | 0.0788672 | standard |
| 8.4421 | 0.0781123 | standard |
| 8.45159 | 0.0780047 | standard |
| 1.2916 | 1.0 | standard |
| 7.527 | 0.0631262 | standard |
| 7.66967 | 0.093329 | standard |
| 8.38099 | 0.0933593 | standard |
| 8.52382 | 0.0631471 | standard |
| 1.2916 | 1.0 | standard |
| 7.55368 | 0.0679273 | standard |
| 7.64893 | 0.088385 | standard |
| 8.40169 | 0.088357 | standard |
| 8.49699 | 0.067987 | standard |
| 1.2916 | 1.0 | standard |
| 7.56664 | 0.070492 | standard |
| 7.63816 | 0.0858021 | standard |
| 8.41253 | 0.0858016 | standard |
| 8.48399 | 0.070574 | standard |
| 1.2916 | 1.0 | standard |
| 7.57095 | 0.0713362 | standard |
| 7.63448 | 0.0848771 | standard |
| 8.41623 | 0.0848881 | standard |
| 8.47978 | 0.0713356 | standard |
| 1.2916 | 1.0 | standard |
| 7.57431 | 0.0720097 | standard |
| 7.6315 | 0.084238 | standard |
| 8.41918 | 0.0842169 | standard |
| 8.47631 | 0.0720046 | standard |
| 1.2916 | 1.0 | standard |
| 7.58933 | 0.075452 | standard |
| 7.61791 | 0.0807382 | standard |
| 8.43277 | 0.080948 | standard |
| 8.46135 | 0.0752329 | standard |
| 1.2916 | 1.0 | standard |
| 7.5942 | 0.076539 | standard |
| 7.61328 | 0.0795475 | standard |
| 8.43743 | 0.0795584 | standard |
| 8.45646 | 0.0767363 | standard |
| 1.2916 | 1.0 | standard |
| 7.59665 | 0.0774839 | standard |
| 7.61094 | 0.0785823 | standard |
| 8.43976 | 0.0789382 | standard |
| 8.45405 | 0.0771309 | standard |
| 1.2916 | 1.0 | standard |
| 7.59806 | 0.0777902 | standard |
| 7.60953 | 0.0784364 | standard |
| 8.44117 | 0.0785896 | standard |
| 8.45258 | 0.0778417 | standard |
| 1.2916 | 1.0 | standard |
| 7.59902 | 0.0780021 | standard |
| 7.60857 | 0.0788672 | standard |
| 8.4421 | 0.0781123 | standard |
| 8.45159 | 0.0780047 | standard |
| 1.2916 | 1.0 | standard |
| 7.59976 | 0.0778002 | standard |
| 7.60788 | 0.077905 | standard |
| 8.44277 | 0.0784437 | standard |
| 8.45097 | 0.0774373 | standard |
| 1.2916 | 1.0 | standard |
| 7.59998 | 0.0778712 | standard |
| 7.60765 | 0.0783648 | standard |
| 8.44307 | 0.0783847 | standard |
| 8.45067 | 0.0772111 | standard |
| 1.2916 | 1.0 | standard |
| 7.60027 | 0.0780137 | standard |
| 7.60741 | 0.0785853 | standard |
| 8.44326 | 0.0778387 | standard |
| 8.45043 | 0.0778016 | standard |
| 1.2916 | 1.0 | standard |
| 7.60062 | 0.0777616 | standard |
| 7.60702 | 0.0777725 | standard |
| 8.44371 | 0.0784946 | standard |
| 8.44999 | 0.0783336 | standard |
| 1.2916 | 1.0 | standard |
| 7.60082 | 0.0774371 | standard |
| 7.60682 | 0.0774744 | standard |
| 8.44384 | 0.079023 | standard |
| 8.44985 | 0.0789917 | standard |
| 1.2916 | 1.0 | standard |
| 7.60095 | 0.0783002 | standard |
| 7.60668 | 0.0783139 | standard |
| 8.444 | 0.0772993 | standard |
| 8.4497 | 0.0773491 | standard |
| 1.2916 | 1.0 | standard |
| 7.60158 | 0.0783048 | standard |
| 7.60605 | 0.0780929 | standard |
| 8.44467 | 0.0782133 | standard |
| 8.44903 | 0.0780094 | standard |