4-Methylthiophene-2-carboxamide
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02016 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H7NOS/c1-4-2-5(6(7)8)9-3-4/h2-3H,1H3,(H2,7,8) | |
| Note 1 | 13?14 | |
| Note 2 | ||
| Note 3 | Lots of aliphatic garbage |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 4-Methylthiophene-2-carboxamide | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 10 | 11 | 12 | 13 | 14 | |
|---|---|---|---|---|---|
| 10 | 2.264 | -14.0 | -14.0 | 0 | 0 |
| 11 | 0 | 2.264 | -14.0 | 0 | 0 |
| 12 | 0 | 0 | 2.264 | 0 | 0 |
| 13 | 0 | 0 | 0 | 7.566 | 1.5 |
| 14 | 0 | 0 | 0 | 0 | 7.348 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.26412 | 1.0 | standard |
| 7.34705 | 0.222397 | standard |
| 7.34887 | 0.221584 | standard |
| 7.56546 | 0.222348 | standard |
| 7.56728 | 0.221382 | standard |
| 2.26412 | 1.0 | standard |
| 7.36229 | 0.244817 | standard |
| 7.55214 | 0.244862 | standard |
| 2.26412 | 1.0 | standard |
| 7.33973 | 0.212972 | standard |
| 7.35756 | 0.23574 | standard |
| 7.5569 | 0.235991 | standard |
| 7.57451 | 0.213402 | standard |
| 2.26412 | 1.0 | standard |
| 7.34147 | 0.215079 | standard |
| 7.35508 | 0.232052 | standard |
| 7.55925 | 0.232093 | standard |
| 7.57286 | 0.215037 | standard |
| 2.26412 | 1.0 | standard |
| 7.34206 | 0.215272 | standard |
| 7.35424 | 0.229918 | standard |
| 7.56007 | 0.230552 | standard |
| 7.57222 | 0.214871 | standard |
| 2.26412 | 1.0 | standard |
| 7.34257 | 0.215754 | standard |
| 7.35371 | 0.229502 | standard |
| 7.56075 | 0.229978 | standard |
| 7.57171 | 0.216413 | standard |
| 2.26412 | 1.0 | standard |
| 7.34516 | 0.219698 | standard |
| 7.3508 | 0.224291 | standard |
| 7.56366 | 0.225427 | standard |
| 7.56914 | 0.220928 | standard |
| 2.26412 | 1.0 | standard |
| 7.34606 | 0.220556 | standard |
| 7.34988 | 0.221483 | standard |
| 7.56458 | 0.223459 | standard |
| 7.56823 | 0.222105 | standard |
| 2.26412 | 1.0 | standard |
| 7.34663 | 0.223919 | standard |
| 7.34929 | 0.223509 | standard |
| 7.56501 | 0.221476 | standard |
| 7.56783 | 0.220996 | standard |
| 2.26412 | 1.0 | standard |
| 7.34679 | 0.220262 | standard |
| 7.34914 | 0.220257 | standard |
| 7.56533 | 0.223151 | standard |
| 7.56752 | 0.223143 | standard |
| 2.26412 | 1.0 | standard |
| 7.34705 | 0.222965 | standard |
| 7.34888 | 0.222974 | standard |
| 7.56546 | 0.222971 | standard |
| 7.56728 | 0.222976 | standard |
| 2.26412 | 1.0 | standard |
| 7.34722 | 0.224604 | standard |
| 7.3487 | 0.224315 | standard |
| 7.56559 | 0.220448 | standard |
| 7.56725 | 0.220139 | standard |
| 2.26412 | 1.0 | standard |
| 7.34728 | 0.222558 | standard |
| 7.34874 | 0.222078 | standard |
| 7.5657 | 0.222078 | standard |
| 7.56715 | 0.222558 | standard |
| 2.26412 | 1.0 | standard |
| 7.34726 | 0.222052 | standard |
| 7.34867 | 0.222009 | standard |
| 7.56567 | 0.222055 | standard |
| 7.56708 | 0.222009 | standard |
| 2.26412 | 1.0 | standard |
| 7.34733 | 0.221085 | standard |
| 7.3486 | 0.22114 | standard |
| 7.56574 | 0.221093 | standard |
| 7.56701 | 0.221142 | standard |
| 2.26412 | 1.0 | standard |
| 7.34742 | 0.220684 | standard |
| 7.3486 | 0.220118 | standard |
| 7.56583 | 0.220682 | standard |
| 7.56701 | 0.220104 | standard |
| 2.26412 | 1.0 | standard |
| 7.34742 | 0.222942 | standard |
| 7.34851 | 0.22293 | standard |
| 7.56583 | 0.22292 | standard |
| 7.56691 | 0.222931 | standard |
| 2.26412 | 1.0 | standard |
| 7.3476 | 0.227268 | standard |
| 7.34833 | 0.227306 | standard |
| 7.56597 | 0.219558 | standard |
| 7.56688 | 0.21958 | standard |