4-(2-Amino-1,3-thiazol-4-yl)phenol
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.01327 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C9H8N2OS/c10-9-11-8(5-13-9)6-1-3-7(12)4-2-6/h1-5,12H,(H2,10,11) | |
| Note 1 | 14,15?16,17 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 4-(2-Amino-1,3-thiazol-4-yl)phenol | 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 | |
|---|---|---|---|---|---|
| 14 | 6.942 | 1.5 | 8.797 | 0 | 0 |
| 15 | 0 | 6.942 | 0 | 8.797 | 0 |
| 16 | 0 | 0 | 7.648 | 1.5 | 0 |
| 17 | 0 | 0 | 0 | 7.648 | 0 |
| 18 | 0 | 0 | 0 | 0 | 6.815 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 6.81509 | 1.0 | standard |
| 6.93486 | 0.843511 | standard |
| 6.94943 | 0.855685 | standard |
| 7.64097 | 0.855535 | standard |
| 7.65553 | 0.843322 | standard |
| 6.81532 | 1.0 | standard |
| 7.0354 | 0.687853 | standard |
| 7.55495 | 0.68064 | standard |
| 7.7746 | 0.377154 | standard |
| 6.81576 | 1.0 | standard |
| 6.86068 | 0.714587 | standard |
| 7.00771 | 0.914371 | standard |
| 7.58267 | 0.90814 | standard |
| 7.72857 | 0.611663 | standard |
| 6.81516 | 1.0 | standard |
| 6.88326 | 0.730721 | standard |
| 6.99262 | 0.94599 | standard |
| 7.59777 | 0.94146 | standard |
| 7.70708 | 0.699342 | standard |
| 6.81512 | 1.00001 | standard |
| 6.89025 | 0.740808 | standard |
| 6.98747 | 0.941677 | standard |
| 7.60299 | 0.938084 | standard |
| 7.70009 | 0.720106 | standard |
| 6.8151 | 1.0 | standard |
| 6.89583 | 0.750545 | standard |
| 6.98323 | 0.936077 | standard |
| 7.60716 | 0.93277 | standard |
| 7.69454 | 0.735832 | standard |
| 6.81509 | 1.0 | standard |
| 6.9197 | 0.7973 | standard |
| 6.96341 | 0.89811 | standard |
| 7.62699 | 0.897016 | standard |
| 7.67069 | 0.795062 | standard |
| 6.81509 | 1.0 | standard |
| 6.92738 | 0.81449 | standard |
| 6.95652 | 0.881523 | standard |
| 7.63398 | 0.882511 | standard |
| 7.66301 | 0.813693 | standard |
| 6.81509 | 1.0 | standard |
| 6.93112 | 0.822116 | standard |
| 6.95297 | 0.873588 | standard |
| 7.63742 | 0.873269 | standard |
| 7.65928 | 0.821661 | standard |
| 6.81509 | 1.0 | standard |
| 6.93339 | 0.842809 | standard |
| 6.9508 | 0.85648 | standard |
| 7.63959 | 0.856269 | standard |
| 7.65701 | 0.84253 | standard |
| 6.81509 | 1.0 | standard |
| 6.93486 | 0.843514 | standard |
| 6.94943 | 0.855687 | standard |
| 7.64097 | 0.855538 | standard |
| 7.65553 | 0.843324 | standard |
| 6.81509 | 1.0 | standard |
| 6.93594 | 0.84865 | standard |
| 6.94844 | 0.850308 | standard |
| 7.64205 | 0.849189 | standard |
| 7.65445 | 0.848689 | standard |
| 6.81509 | 1.0 | standard |
| 6.93634 | 0.848244 | standard |
| 6.94794 | 0.853527 | standard |
| 7.64245 | 0.85343 | standard |
| 7.65406 | 0.848125 | standard |
| 6.81509 | 1.0 | standard |
| 6.93673 | 0.847366 | standard |
| 6.94766 | 0.848811 | standard |
| 7.64274 | 0.848725 | standard |
| 7.65366 | 0.847263 | standard |
| 6.81509 | 1.0 | standard |
| 6.93732 | 0.850193 | standard |
| 6.94706 | 0.850182 | standard |
| 7.64333 | 0.8501 | standard |
| 7.65307 | 0.848555 | standard |
| 6.81509 | 1.0 | standard |
| 6.93762 | 0.850403 | standard |
| 6.94677 | 0.850394 | standard |
| 7.64363 | 0.850331 | standard |
| 7.65277 | 0.850331 | standard |
| 6.81509 | 1.0 | standard |
| 6.93781 | 0.847911 | standard |
| 6.94657 | 0.847903 | standard |
| 7.64382 | 0.847832 | standard |
| 7.65258 | 0.846101 | standard |
| 6.81509 | 1.0 | standard |
| 6.9388 | 0.847907 | standard |
| 6.94559 | 0.847903 | standard |
| 7.6448 | 0.84787 | standard |
| 7.6516 | 0.847869 | standard |