4-(Tert-butyl)-1,3-thiazol-2-amine
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.01555 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C7H12N2S/c1-7(2,3)5-4-10-6(8)9-5/h4H,1-3H3,(H2,8,9) | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 4-(Tert-butyl)-1,3-thiazol-2-amine | 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 | 16 | 17 | 18 | 19 | 20 | |
|---|---|---|---|---|---|---|---|---|---|---|
| 11 | 1.22 | -14.0 | -14.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 12 | 0 | 1.22 | -14.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 13 | 0 | 0 | 1.22 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 14 | 0 | 0 | 0 | 1.22 | -14.0 | -14.0 | 0 | 0 | 0 | 0 |
| 15 | 0 | 0 | 0 | 0 | 1.22 | -14.0 | 0 | 0 | 0 | 0 |
| 16 | 0 | 0 | 0 | 0 | 0 | 1.22 | 0 | 0 | 0 | 0 |
| 17 | 0 | 0 | 0 | 0 | 0 | 0 | 1.22 | -14.0 | -14.0 | 0 |
| 18 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1.22 | -14.0 | 0 |
| 19 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1.22 | 0 |
| 20 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6.317 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 1.22018 | 1.0 | standard |
| 6.31667 | 0.092123 | standard |
| 1.22018 | 1.0 | standard |
| 6.31667 | 0.097988 | standard |
| 1.22018 | 1.0 | standard |
| 6.31667 | 0.098755 | standard |
| 1.22018 | 1.0 | standard |
| 6.31667 | 0.095629 | standard |
| 1.22018 | 1.0 | standard |
| 6.31667 | 0.098946 | standard |
| 1.22018 | 1.0 | standard |
| 6.31667 | 0.099262 | standard |
| 1.22018 | 1.0 | standard |
| 6.31667 | 0.100023 | standard |
| 1.22018 | 1.0 | standard |
| 6.31667 | 0.096361 | standard |
| 1.22018 | 1.0 | standard |
| 6.31667 | 0.09302 | standard |
| 1.22018 | 1.0 | standard |
| 6.31667 | 0.099256 | standard |
| 1.22018 | 1.0 | standard |
| 6.31667 | 0.098339 | standard |
| 1.22018 | 1.0 | standard |
| 6.31667 | 0.099933 | standard |
| 1.22018 | 1.0 | standard |
| 6.31667 | 0.097758 | standard |
| 1.22018 | 1.0 | standard |
| 6.31667 | 0.099791 | standard |
| 1.22018 | 1.0 | standard |
| 6.31667 | 0.095796 | standard |
| 1.22018 | 1.0 | standard |
| 6.31667 | 0.095808 | standard |
| 1.22018 | 1.0 | standard |
| 6.31667 | 0.09809 | standard |
| 1.22018 | 1.0 | standard |
| 6.31667 | 0.09544 | standard |