Imidazo[2,1-b]thiazol-6-ylmethanol
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.05832 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H6N2OS/c9-4-5-3-8-1-2-10-6(8)7-5/h1-3,9H,4H2 | |
| Note 1 | 14,15 close to water weak due to saturation |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Imidazo[2,1-b]thiazol-6-ylmethanol | 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 | 7.667 | 4.527 | 0 | 0 | 0 |
| 12 | 0 | 7.079 | 0 | 0 | 0 |
| 13 | 0 | 0 | 7.667 | 0 | 0 |
| 14 | 0 | 0 | 0 | 4.615 | -14.0 |
| 15 | 0 | 0 | 0 | 0 | 4.615 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 4.61474 | 1.0 | standard |
| 7.07549 | 0.267438 | standard |
| 7.08295 | 0.267438 | standard |
| 7.66672 | 0.620106 | standard |
| 7.67071 | 0.366349 | standard |
| 4.61474 | 1.0 | standard |
| 7.01807 | 0.225824 | standard |
| 7.13005 | 0.314734 | standard |
| 7.66539 | 0.622536 | standard |
| 4.61474 | 1.0 | standard |
| 7.03953 | 0.238907 | standard |
| 7.11425 | 0.298379 | standard |
| 7.66614 | 0.618543 | standard |
| 4.61474 | 1.0 | standard |
| 7.0499 | 0.245741 | standard |
| 7.10597 | 0.290405 | standard |
| 7.6664 | 0.617449 | standard |
| 4.61474 | 1.0 | standard |
| 7.05333 | 0.248106 | standard |
| 7.10312 | 0.287814 | standard |
| 7.66647 | 0.617038 | standard |
| 4.61474 | 1.0 | standard |
| 7.05597 | 0.249927 | standard |
| 7.10085 | 0.285681 | standard |
| 7.66652 | 0.616833 | standard |
| 4.61474 | 1.0 | standard |
| 7.06783 | 0.258595 | standard |
| 7.09023 | 0.276481 | standard |
| 7.66667 | 0.616488 | standard |
| 4.61474 | 1.0 | standard |
| 7.07166 | 0.264515 | standard |
| 7.08659 | 0.27048 | standard |
| 7.66671 | 0.615493 | standard |
| 7.67383 | 0.375347 | standard |
| 4.61474 | 1.0 | standard |
| 7.07362 | 0.267452 | standard |
| 7.08482 | 0.267453 | standard |
| 7.66672 | 0.617185 | standard |
| 7.67222 | 0.375688 | standard |
| 4.61474 | 1.0 | standard |
| 7.0747 | 0.267515 | standard |
| 7.08364 | 0.267516 | standard |
| 7.66673 | 0.618317 | standard |
| 7.67123 | 0.373295 | standard |
| 4.61474 | 1.0 | standard |
| 7.07549 | 0.267438 | standard |
| 7.08295 | 0.267438 | standard |
| 7.66672 | 0.620109 | standard |
| 7.67071 | 0.366353 | standard |
| 4.61474 | 1.0 | standard |
| 7.07598 | 0.267012 | standard |
| 7.08246 | 0.267013 | standard |
| 7.66673 | 0.621296 | standard |
| 7.67019 | 0.36502 | standard |
| 4.61474 | 1.0 | standard |
| 7.07627 | 0.267872 | standard |
| 7.08216 | 0.267872 | standard |
| 7.66673 | 0.621137 | standard |
| 7.67003 | 0.362099 | standard |
| 4.61474 | 1.0 | standard |
| 7.07637 | 0.266873 | standard |
| 7.08207 | 0.266873 | standard |
| 7.66673 | 0.62275 | standard |
| 7.66986 | 0.360895 | standard |
| 4.61474 | 1.0 | standard |
| 7.07676 | 0.26787 | standard |
| 7.08167 | 0.26787 | standard |
| 7.66673 | 0.623571 | standard |
| 7.66962 | 0.356237 | standard |
| 4.61474 | 1.0 | standard |
| 7.07686 | 0.267431 | standard |
| 7.08158 | 0.267431 | standard |
| 7.66672 | 0.628306 | standard |
| 7.66955 | 0.353021 | standard |
| 4.61474 | 1.0 | standard |
| 7.07696 | 0.267147 | standard |
| 7.08148 | 0.267147 | standard |
| 7.66672 | 0.630146 | standard |
| 7.66935 | 0.356423 | standard |
| 4.61474 | 1.0 | standard |
| 7.07755 | 0.267501 | standard |
| 7.08099 | 0.267501 | standard |
| 7.66672 | 0.636944 | standard |
| 7.66894 | 0.345768 | standard |