6-Chloroimidazo[2,1-b][1,3]thiazole
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.05269 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C5H3ClN2S/c6-4-3-8-1-2-9-5(8)7-4/h1-3H | |
| Note 1 | 10?11 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 6-Chloroimidazo[2,1-b][1,3]thiazole | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 10 | 11 | 12 | |
|---|---|---|---|
| 10 | 7.679 | 4.592 | 0 |
| 11 | 0 | 7.166 | 0 |
| 12 | 0 | 0 | 7.7 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.16186 | 0.519439 | standard |
| 7.16946 | 0.51944 | standard |
| 7.67485 | 0.523665 | standard |
| 7.68246 | 0.528 | standard |
| 7.70032 | 1.0 | standard |
| 7.10232 | 0.360956 | standard |
| 7.21665 | 0.540993 | standard |
| 7.62919 | 0.631078 | standard |
| 7.701 | 1.0 | standard |
| 7.12476 | 0.368106 | standard |
| 7.201 | 0.482801 | standard |
| 7.64395 | 0.546392 | standard |
| 7.70179 | 1.0 | standard |
| 7.13551 | 0.347454 | standard |
| 7.19269 | 0.426008 | standard |
| 7.65196 | 0.471489 | standard |
| 7.7021 | 1.0 | standard |
| 7.13906 | 0.335942 | standard |
| 7.18983 | 0.402693 | standard |
| 7.65475 | 0.441662 | standard |
| 7.70167 | 1.00001 | standard |
| 7.14182 | 0.32793 | standard |
| 7.18755 | 0.386062 | standard |
| 7.65697 | 0.420098 | standard |
| 7.70098 | 1.00002 | standard |
| 7.15396 | 0.451577 | standard |
| 7.17687 | 0.490035 | standard |
| 7.66747 | 0.51032 | standard |
| 7.69161 | 0.648955 | standard |
| 7.70011 | 1.00001 | standard |
| 7.15791 | 0.492041 | standard |
| 7.17322 | 0.519612 | standard |
| 7.6712 | 0.532351 | standard |
| 7.68649 | 0.545089 | standard |
| 7.7003 | 1.00004 | standard |
| 7.15988 | 0.503846 | standard |
| 7.17134 | 0.52487 | standard |
| 7.67297 | 0.533002 | standard |
| 7.68445 | 0.527613 | standard |
| 7.70032 | 1.0 | standard |
| 7.16107 | 0.517506 | standard |
| 7.17025 | 0.517507 | standard |
| 7.67416 | 0.523713 | standard |
| 7.68325 | 0.531361 | standard |
| 7.70032 | 1.0 | standard |
| 7.16186 | 0.51944 | standard |
| 7.16946 | 0.519441 | standard |
| 7.67485 | 0.523665 | standard |
| 7.68246 | 0.528001 | standard |
| 7.70032 | 1.0 | standard |
| 7.16245 | 0.520364 | standard |
| 7.16897 | 0.520364 | standard |
| 7.67544 | 0.523628 | standard |
| 7.68196 | 0.526346 | standard |
| 7.70032 | 1.0 | standard |
| 7.16265 | 0.521119 | standard |
| 7.16867 | 0.521119 | standard |
| 7.67564 | 0.523301 | standard |
| 7.68176 | 0.525517 | standard |
| 7.70032 | 1.0 | standard |
| 7.16284 | 0.520766 | standard |
| 7.16857 | 0.520767 | standard |
| 7.67584 | 0.523352 | standard |
| 7.68157 | 0.525167 | standard |
| 7.70032 | 1.0 | standard |
| 7.16314 | 0.521643 | standard |
| 7.16818 | 0.521643 | standard |
| 7.67613 | 0.523739 | standard |
| 7.68117 | 0.524983 | standard |
| 7.70032 | 1.0 | standard |
| 7.16324 | 0.521181 | standard |
| 7.16808 | 0.521181 | standard |
| 7.67623 | 0.523077 | standard |
| 7.68107 | 0.52415 | standard |
| 7.70032 | 1.0 | standard |
| 7.16344 | 0.521819 | standard |
| 7.16798 | 0.52182 | standard |
| 7.67643 | 0.52356 | standard |
| 7.68097 | 0.524473 | standard |
| 7.70032 | 1.0 | standard |
| 7.16393 | 0.521553 | standard |
| 7.16749 | 0.521553 | standard |
| 7.67692 | 0.52386 | standard |
| 7.68038 | 0.524265 | standard |
| 7.70032 | 1.0 | standard |