Thieno[3,2-b]thiophene-2-carboxylic acid
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02492 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C7H4O2S2/c8-7(9)6-3-5-4(11-6)1-2-10-5/h1-3H,(H,8,9) | |
| Note 1 | 12?13 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Thieno[3,2-b]thiophene-2-carboxylic acid | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 12 | 13 | 14 | |
|---|---|---|---|
| 12 | 7.386 | 6.008 | 0 |
| 13 | 0 | 7.685 | 0 |
| 14 | 0 | 0 | 7.816 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.38135 | 0.497146 | standard |
| 7.39135 | 0.529717 | standard |
| 7.68039 | 0.529852 | standard |
| 7.6904 | 0.497306 | standard |
| 7.81657 | 1.0 | standard |
| 7.29379 | 0.274577 | standard |
| 7.44376 | 0.682663 | standard |
| 7.62807 | 0.69431 | standard |
| 7.81553 | 1.0 | standard |
| 7.32833 | 0.353826 | standard |
| 7.42823 | 0.658548 | standard |
| 7.64344 | 0.665697 | standard |
| 7.74396 | 0.401162 | standard |
| 7.8165 | 1.0 | standard |
| 7.34434 | 0.392455 | standard |
| 7.4193 | 0.628026 | standard |
| 7.65246 | 0.632749 | standard |
| 7.7275 | 0.410834 | standard |
| 7.81655 | 1.0 | standard |
| 7.34938 | 0.405543 | standard |
| 7.41603 | 0.616592 | standard |
| 7.65563 | 0.620531 | standard |
| 7.72231 | 0.41856 | standard |
| 7.81656 | 1.0 | standard |
| 7.35344 | 0.416085 | standard |
| 7.41345 | 0.607095 | standard |
| 7.6583 | 0.610433 | standard |
| 7.71834 | 0.425804 | standard |
| 7.81656 | 1.0 | standard |
| 7.37065 | 0.464456 | standard |
| 7.40066 | 0.561663 | standard |
| 7.67108 | 0.562697 | standard |
| 7.70109 | 0.466199 | standard |
| 7.81657 | 1.0 | standard |
| 7.3761 | 0.480788 | standard |
| 7.39611 | 0.545804 | standard |
| 7.67564 | 0.5463 | standard |
| 7.69565 | 0.481489 | standard |
| 7.81657 | 1.0 | standard |
| 7.37867 | 0.488876 | standard |
| 7.39373 | 0.537703 | standard |
| 7.67802 | 0.538157 | standard |
| 7.69297 | 0.489434 | standard |
| 7.81657 | 1.0 | standard |
| 7.38026 | 0.49392 | standard |
| 7.39224 | 0.532992 | standard |
| 7.6794 | 0.533182 | standard |
| 7.69139 | 0.494154 | standard |
| 7.81657 | 1.0 | standard |
| 7.38135 | 0.497147 | standard |
| 7.39135 | 0.529718 | standard |
| 7.68039 | 0.529853 | standard |
| 7.6904 | 0.497306 | standard |
| 7.81657 | 1.0 | standard |
| 7.38204 | 0.499349 | standard |
| 7.39066 | 0.527281 | standard |
| 7.68109 | 0.527381 | standard |
| 7.6897 | 0.499465 | standard |
| 7.81657 | 1.0 | standard |
| 7.38234 | 0.50035 | standard |
| 7.39036 | 0.526417 | standard |
| 7.68138 | 0.526505 | standard |
| 7.68941 | 0.50045 | standard |
| 7.81657 | 1.0 | standard |
| 7.38264 | 0.501504 | standard |
| 7.39006 | 0.525926 | standard |
| 7.68158 | 0.525663 | standard |
| 7.68911 | 0.501233 | standard |
| 7.81657 | 1.0 | standard |
| 7.38303 | 0.50273 | standard |
| 7.38967 | 0.524446 | standard |
| 7.68198 | 0.524128 | standard |
| 7.68871 | 0.502403 | standard |
| 7.81657 | 1.0 | standard |
| 7.38323 | 0.503507 | standard |
| 7.38947 | 0.524073 | standard |
| 7.68218 | 0.52372 | standard |
| 7.68852 | 0.503143 | standard |
| 7.81657 | 1.0 | standard |
| 7.38333 | 0.50351 | standard |
| 7.38937 | 0.523068 | standard |
| 7.68238 | 0.523545 | standard |
| 7.68832 | 0.50401 | standard |
| 7.81657 | 1.0 | standard |
| 7.38402 | 0.513253 | standard |
| 7.38868 | 0.513253 | standard |
| 7.68307 | 0.513851 | standard |
| 7.68762 | 0.513853 | standard |
| 7.81657 | 1.0 | standard |