3-Amino-5-(tert-butyl)thiophene-2-carboxamide
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.00570 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C9H14N2OS/c1-9(2,3)6-4-5(10)7(13-6)8(11)12/h4H,10H2,1-3H3,(H2,11,12) | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 3-Amino-5-(tert-butyl)thiophene-2-carboxamide | 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 | |
|---|---|---|---|---|---|---|---|---|---|---|
| 14 | 1.329 | -14.0 | -14.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 15 | 0 | 1.329 | -14.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 16 | 0 | 0 | 1.329 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 17 | 0 | 0 | 0 | 1.329 | -14.0 | -14.0 | 0 | 0 | 0 | 0 |
| 18 | 0 | 0 | 0 | 0 | 1.329 | -14.0 | 0 | 0 | 0 | 0 |
| 19 | 0 | 0 | 0 | 0 | 0 | 1.329 | 0 | 0 | 0 | 0 |
| 20 | 0 | 0 | 0 | 0 | 0 | 0 | 1.329 | -14.0 | -14.0 | 0 |
| 21 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1.329 | -14.0 | 0 |
| 22 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1.329 | 0 |
| 23 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6.573 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 1.32949 | 1.0 | standard |
| 6.57307 | 0.098396 | standard |
| 1.32949 | 1.0 | standard |
| 6.57307 | 0.098439 | standard |
| 1.32949 | 1.0 | standard |
| 6.57307 | 0.094863 | standard |
| 1.32949 | 1.0 | standard |
| 6.57307 | 0.096467 | standard |
| 1.32949 | 1.0 | standard |
| 6.57307 | 0.09736 | standard |
| 1.32949 | 1.0 | standard |
| 6.57307 | 0.099496 | standard |
| 1.32949 | 1.0 | standard |
| 6.57307 | 0.094221 | standard |
| 1.32949 | 1.0 | standard |
| 6.57307 | 0.099736 | standard |
| 1.32949 | 1.0 | standard |
| 6.57307 | 0.093023 | standard |
| 1.32949 | 1.0 | standard |
| 6.57307 | 0.099826 | standard |
| 1.32949 | 1.0 | standard |
| 6.57307 | 0.098147 | standard |
| 1.32949 | 1.0 | standard |
| 6.57307 | 0.098712 | standard |
| 1.32949 | 1.0 | standard |
| 6.57307 | 0.095427 | standard |
| 1.32949 | 1.0 | standard |
| 6.57307 | 0.094211 | standard |
| 1.32949 | 1.0 | standard |
| 6.57307 | 0.098344 | standard |
| 1.32949 | 1.0 | standard |
| 6.57307 | 0.094935 | standard |
| 1.32949 | 1.0 | standard |
| 6.57307 | 0.09846 | standard |
| 1.32949 | 1.0 | standard |
| 6.57307 | 0.094683 | standard |