1,4-Dihydrothieno[3,2-d]pyrimidin-4-one
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02273 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H4N2OS/c9-6-5-4(1-2-10-5)7-3-8-6/h1-3H,(H,7,8,9) | |
| Note 1 | 11?12 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 1,4-Dihydrothieno[3,2-d]pyrimidin-4-one | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 11 | 12 | 13 | |
|---|---|---|---|
| 11 | 7.442 | 6.358 | 0 |
| 12 | 0 | 8.142 | 0 |
| 13 | 0 | 0 | 8.288 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.43709 | 0.511982 | standard |
| 7.44769 | 0.511982 | standard |
| 8.13665 | 0.512321 | standard |
| 8.14715 | 0.51234 | standard |
| 8.2883 | 1.0 | standard |
| 7.35421 | 0.379008 | standard |
| 7.51291 | 0.581948 | standard |
| 8.0714 | 0.593213 | standard |
| 8.23486 | 0.533488 | standard |
| 8.28771 | 1.0 | standard |
| 7.38549 | 0.431673 | standard |
| 7.49139 | 0.575433 | standard |
| 8.09297 | 0.582117 | standard |
| 8.19899 | 0.464312 | standard |
| 8.28825 | 1.00001 | standard |
| 7.40044 | 0.453342 | standard |
| 7.47989 | 0.562652 | standard |
| 8.10445 | 0.567001 | standard |
| 8.18385 | 0.467164 | standard |
| 8.28829 | 1.0 | standard |
| 7.40539 | 0.460275 | standard |
| 7.47593 | 0.557753 | standard |
| 8.10831 | 0.561308 | standard |
| 8.17897 | 0.470233 | standard |
| 8.28829 | 1.0 | standard |
| 7.40926 | 0.465701 | standard |
| 7.47276 | 0.553629 | standard |
| 8.11158 | 0.556654 | standard |
| 8.1751 | 0.473273 | standard |
| 8.2883 | 1.0 | standard |
| 7.42619 | 0.489439 | standard |
| 7.4579 | 0.533697 | standard |
| 8.12635 | 0.534611 | standard |
| 8.15805 | 0.490875 | standard |
| 8.2883 | 1.0 | standard |
| 7.43164 | 0.49703 | standard |
| 7.45284 | 0.526574 | standard |
| 8.1314 | 0.527009 | standard |
| 8.1526 | 0.497617 | standard |
| 8.2883 | 1.0 | standard |
| 7.43441 | 0.500899 | standard |
| 7.45027 | 0.523063 | standard |
| 8.13397 | 0.523173 | standard |
| 8.14993 | 0.501067 | standard |
| 8.2883 | 1.0 | standard |
| 7.436 | 0.512029 | standard |
| 7.44868 | 0.51203 | standard |
| 8.13556 | 0.512195 | standard |
| 8.14824 | 0.512228 | standard |
| 8.2883 | 1.0 | standard |
| 7.43709 | 0.511982 | standard |
| 7.44769 | 0.511982 | standard |
| 8.13665 | 0.512322 | standard |
| 8.14715 | 0.51234 | standard |
| 8.2883 | 1.0 | standard |
| 7.43788 | 0.512183 | standard |
| 7.4469 | 0.512183 | standard |
| 8.13734 | 0.512012 | standard |
| 8.14646 | 0.512024 | standard |
| 8.2883 | 1.0 | standard |
| 7.43818 | 0.51217 | standard |
| 7.4466 | 0.51217 | standard |
| 8.13764 | 0.51197 | standard |
| 8.14616 | 0.51198 | standard |
| 8.2883 | 1.0 | standard |
| 7.43848 | 0.512082 | standard |
| 7.4464 | 0.512082 | standard |
| 8.13794 | 0.512149 | standard |
| 8.14586 | 0.512156 | standard |
| 8.2883 | 1.0 | standard |
| 7.43887 | 0.512126 | standard |
| 7.44591 | 0.512126 | standard |
| 8.13833 | 0.512179 | standard |
| 8.14537 | 0.512184 | standard |
| 8.2883 | 1.0 | standard |
| 7.43907 | 0.512222 | standard |
| 7.44571 | 0.512222 | standard |
| 8.13853 | 0.51227 | standard |
| 8.14517 | 0.512274 | standard |
| 8.2883 | 1.0 | standard |
| 7.43927 | 0.512094 | standard |
| 7.44561 | 0.512094 | standard |
| 8.13873 | 0.512137 | standard |
| 8.14507 | 0.512141 | standard |
| 8.2883 | 1.0 | standard |
| 7.43996 | 0.512214 | standard |
| 7.44482 | 0.512214 | standard |
| 8.13942 | 0.51224 | standard |
| 8.14428 | 0.512242 | standard |
| 8.2883 | 1.0 | standard |