4-Methoxythiophene-3-carboxylic acid
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.03249 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H6O3S/c1-9-5-3-10-2-4(5)6(7)8/h2-3H,1H3,(H,7,8) | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 4-Methoxythiophene-3-carboxylic acid | 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 | 3.833 | -14.0 | -14.0 | 0 | 0 |
| 12 | 0 | 3.833 | -14.0 | 0 | 0 |
| 13 | 0 | 0 | 3.833 | 0 | 0 |
| 14 | 0 | 0 | 0 | 7.735 | 2.925 |
| 15 | 0 | 0 | 0 | 0 | 6.518 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 3.83305 | 1.0 | standard |
| 6.5154 | 0.184469 | standard |
| 6.52015 | 0.184082 | standard |
| 7.73301 | 0.18447 | standard |
| 7.73776 | 0.184136 | standard |
| 3.83305 | 1.0 | standard |
| 6.48106 | 0.175146 | standard |
| 6.55251 | 0.191638 | standard |
| 7.70065 | 0.193245 | standard |
| 7.77208 | 0.174575 | standard |
| 3.83305 | 1.0 | standard |
| 6.49352 | 0.178878 | standard |
| 6.54112 | 0.189332 | standard |
| 7.71204 | 0.189718 | standard |
| 7.75963 | 0.178356 | standard |
| 3.83305 | 1.0 | standard |
| 6.49961 | 0.180895 | standard |
| 6.53538 | 0.186881 | standard |
| 7.71778 | 0.187207 | standard |
| 7.75355 | 0.180703 | standard |
| 3.83305 | 1.0 | standard |
| 6.50163 | 0.182635 | standard |
| 6.53343 | 0.185917 | standard |
| 7.71973 | 0.185941 | standard |
| 7.75153 | 0.182597 | standard |
| 3.83305 | 1.0 | standard |
| 6.50328 | 0.182799 | standard |
| 6.53188 | 0.184963 | standard |
| 7.72128 | 0.185119 | standard |
| 7.74988 | 0.18276 | standard |
| 3.83305 | 1.0 | standard |
| 6.51055 | 0.18348 | standard |
| 6.5249 | 0.183338 | standard |
| 7.72826 | 0.184033 | standard |
| 7.74261 | 0.182876 | standard |
| 3.83305 | 1.0 | standard |
| 6.51298 | 0.184341 | standard |
| 6.52247 | 0.184382 | standard |
| 7.73069 | 0.184366 | standard |
| 7.74018 | 0.184384 | standard |
| 3.83305 | 1.0 | standard |
| 6.51414 | 0.184082 | standard |
| 6.52131 | 0.184159 | standard |
| 7.73185 | 0.184166 | standard |
| 7.73902 | 0.184166 | standard |
| 3.83305 | 1.0 | standard |
| 6.51491 | 0.184233 | standard |
| 6.52063 | 0.184266 | standard |
| 7.73253 | 0.184272 | standard |
| 7.73825 | 0.184271 | standard |
| 3.83305 | 1.0 | standard |
| 6.5154 | 0.184337 | standard |
| 6.52015 | 0.183974 | standard |
| 7.73301 | 0.18405 | standard |
| 7.73776 | 0.184274 | standard |
| 3.83305 | 1.0 | standard |
| 6.51569 | 0.184227 | standard |
| 6.51976 | 0.182915 | standard |
| 7.7334 | 0.184202 | standard |
| 7.73747 | 0.182939 | standard |
| 3.83305 | 1.0 | standard |
| 6.51589 | 0.184366 | standard |
| 6.51966 | 0.183347 | standard |
| 7.7335 | 0.184356 | standard |
| 7.73727 | 0.183258 | standard |
| 3.83305 | 1.0 | standard |
| 6.51598 | 0.184124 | standard |
| 6.51957 | 0.183843 | standard |
| 7.73359 | 0.183942 | standard |
| 7.73718 | 0.184144 | standard |
| 3.83305 | 1.0 | standard |
| 6.51617 | 0.183998 | standard |
| 6.51937 | 0.183346 | standard |
| 7.73379 | 0.183999 | standard |
| 7.73699 | 0.183349 | standard |
| 3.83305 | 1.0 | standard |
| 6.51627 | 0.183675 | standard |
| 6.51928 | 0.182694 | standard |
| 7.73388 | 0.184046 | standard |
| 7.73689 | 0.183942 | standard |
| 3.83305 | 1.0 | standard |
| 6.51637 | 0.184727 | standard |
| 6.51918 | 0.184224 | standard |
| 7.73398 | 0.184561 | standard |
| 7.73679 | 0.183401 | standard |
| 3.83305 | 1.0 | standard |
| 6.51666 | 0.183846 | standard |
| 6.51889 | 0.183823 | standard |
| 7.73427 | 0.183843 | standard |
| 7.7365 | 0.183824 | standard |