3-Methoxythiophene-2-carboxamide
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.01452 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H7NO2S/c1-9-4-2-3-10-5(4)6(7)8/h2-3H,1H3,(H2,7,8) | |
| Note 1 | 14?15 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 3-Methoxythiophene-2-carboxamide | 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 | 4.036 | -14.0 | -14.0 | 0 | 0 |
| 12 | 0 | 4.036 | -14.0 | 0 | 0 |
| 13 | 0 | 0 | 4.036 | 0 | 0 |
| 14 | 0 | 0 | 0 | 7.105 | 5.608 |
| 15 | 0 | 0 | 0 | 0 | 7.695 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
Help
To zoom into a region, draw a box around it.Hover over the x/y-axis and use mouse-wheel to zoom in/out.
Hover over the x/y-axis hold down left-button to move around the spectra.
(De)activate a spectrum by clicking on its legend.
| PPM | Amplitude | Peak Type |
|---|---|---|
| 4.03638 | 1.0 | standard |
| 7.10026 | 0.171835 | standard |
| 7.10956 | 0.171833 | standard |
| 7.69002 | 0.171728 | standard |
| 7.69942 | 0.17173 | standard |
| 4.03638 | 1.0 | standard |
| 7.02687 | 0.13484 | standard |
| 7.16672 | 0.209805 | standard |
| 7.63286 | 0.20994 | standard |
| 7.7728 | 0.134606 | standard |
| 4.03638 | 1.0 | standard |
| 7.05465 | 0.146854 | standard |
| 7.14799 | 0.197546 | standard |
| 7.65169 | 0.197521 | standard |
| 7.74493 | 0.146861 | standard |
| 4.03638 | 1.0 | standard |
| 7.0679 | 0.15282 | standard |
| 7.13789 | 0.19066 | standard |
| 7.66179 | 0.19104 | standard |
| 7.73168 | 0.152794 | standard |
| 4.03638 | 1.0 | standard |
| 7.07225 | 0.154891 | standard |
| 7.13442 | 0.187653 | standard |
| 7.66516 | 0.188858 | standard |
| 7.72743 | 0.154007 | standard |
| 4.03638 | 1.0 | standard |
| 7.07561 | 0.156577 | standard |
| 7.13164 | 0.187193 | standard |
| 7.66803 | 0.187201 | standard |
| 7.72396 | 0.156615 | standard |
| 4.03638 | 1.0 | standard |
| 7.09065 | 0.163365 | standard |
| 7.11867 | 0.178581 | standard |
| 7.68101 | 0.178828 | standard |
| 7.70902 | 0.164356 | standard |
| 4.03638 | 1.0 | standard |
| 7.0955 | 0.167983 | standard |
| 7.11411 | 0.175173 | standard |
| 7.68546 | 0.175043 | standard |
| 7.70417 | 0.168375 | standard |
| 4.03638 | 1.0 | standard |
| 7.09788 | 0.170883 | standard |
| 7.11184 | 0.172759 | standard |
| 7.68774 | 0.172734 | standard |
| 7.7018 | 0.170774 | standard |
| 4.03638 | 1.0 | standard |
| 7.09926 | 0.1717 | standard |
| 7.11055 | 0.170895 | standard |
| 7.68913 | 0.171694 | standard |
| 7.70031 | 0.170508 | standard |
| 4.03638 | 1.0 | standard |
| 7.10026 | 0.17181 | standard |
| 7.10956 | 0.171834 | standard |
| 7.69002 | 0.171706 | standard |
| 7.69942 | 0.171627 | standard |
| 4.03638 | 1.0 | standard |
| 7.10095 | 0.171759 | standard |
| 7.10897 | 0.171023 | standard |
| 7.69071 | 0.171741 | standard |
| 7.69873 | 0.170862 | standard |
| 4.03638 | 1.0 | standard |
| 7.10125 | 0.171755 | standard |
| 7.10867 | 0.171177 | standard |
| 7.69101 | 0.171755 | standard |
| 7.69843 | 0.171179 | standard |
| 4.03638 | 1.0 | standard |
| 7.10144 | 0.171726 | standard |
| 7.10847 | 0.170513 | standard |
| 7.6912 | 0.171687 | standard |
| 7.69823 | 0.171762 | standard |
| 4.03638 | 1.0 | standard |
| 7.10184 | 0.171781 | standard |
| 7.10808 | 0.171781 | standard |
| 7.6916 | 0.171772 | standard |
| 7.69784 | 0.171781 | standard |
| 4.03638 | 1.0 | standard |
| 7.10204 | 0.171843 | standard |
| 7.10788 | 0.171112 | standard |
| 7.6917 | 0.1717 | standard |
| 7.69764 | 0.170802 | standard |
| 4.03638 | 1.0 | standard |
| 7.10214 | 0.171729 | standard |
| 7.10778 | 0.171729 | standard |
| 7.6919 | 0.171905 | standard |
| 7.69744 | 0.171905 | standard |
| 4.03638 | 1.0 | standard |
| 7.10283 | 0.171848 | standard |
| 7.10709 | 0.170557 | standard |
| 7.69249 | 0.171694 | standard |
| 7.69685 | 0.171694 | standard |