4-Chlorothieno[2,3-d]pyrimidine
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.03216 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H3ClN2S/c7-5-4-1-2-10-6(4)9-3-8-5/h1-3H | |
| Note 1 | 11?12 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 4-Chlorothieno[2,3-d]pyrimidine | 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 | 7.613 | 6.263 | 0 |
| 12 | 0 | 7.919 | 0 |
| 13 | 0 | 0 | 8.837 |
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 |
|---|---|---|
| 7.60749 | 0.495673 | standard |
| 7.61799 | 0.528913 | standard |
| 7.91388 | 0.529135 | standard |
| 7.92428 | 0.495911 | standard |
| 8.8373 | 1.0 | standard |
| 7.51593 | 0.294918 | standard |
| 7.67228 | 0.748182 | standard |
| 7.85949 | 0.748375 | standard |
| 8.01585 | 0.295484 | standard |
| 8.83729 | 1.0 | standard |
| 7.55207 | 0.357316 | standard |
| 7.65636 | 0.674308 | standard |
| 7.87551 | 0.674424 | standard |
| 7.9797 | 0.357557 | standard |
| 8.8373 | 1.0 | standard |
| 7.56879 | 0.392952 | standard |
| 7.64703 | 0.635435 | standard |
| 7.88484 | 0.63552 | standard |
| 7.96299 | 0.393099 | standard |
| 8.8373 | 1.0 | standard |
| 7.57423 | 0.405469 | standard |
| 7.64366 | 0.622203 | standard |
| 7.88811 | 0.622227 | standard |
| 7.95764 | 0.405508 | standard |
| 8.8373 | 1.0 | standard |
| 7.57838 | 0.415577 | standard |
| 7.64098 | 0.611456 | standard |
| 7.89088 | 0.611529 | standard |
| 7.95339 | 0.415688 | standard |
| 8.8373 | 1.0 | standard |
| 7.5964 | 0.463041 | standard |
| 7.6277 | 0.562317 | standard |
| 7.90417 | 0.562398 | standard |
| 7.93537 | 0.46314 | standard |
| 8.8373 | 1.0 | standard |
| 7.60204 | 0.479436 | standard |
| 7.62285 | 0.545781 | standard |
| 7.90892 | 0.545787 | standard |
| 7.92973 | 0.479442 | standard |
| 8.8373 | 1.0 | standard |
| 7.60482 | 0.487575 | standard |
| 7.62047 | 0.537387 | standard |
| 7.9114 | 0.537538 | standard |
| 7.92695 | 0.487741 | standard |
| 8.8373 | 1.0 | standard |
| 7.6064 | 0.492405 | standard |
| 7.61898 | 0.532281 | standard |
| 7.91289 | 0.532467 | standard |
| 7.92537 | 0.492607 | standard |
| 8.8373 | 1.0 | standard |
| 7.60749 | 0.495673 | standard |
| 7.61799 | 0.528914 | standard |
| 7.91388 | 0.529136 | standard |
| 7.92428 | 0.495911 | standard |
| 8.8373 | 1.0 | standard |
| 7.60828 | 0.498273 | standard |
| 7.6172 | 0.526756 | standard |
| 7.91457 | 0.526757 | standard |
| 7.92349 | 0.498274 | standard |
| 8.8373 | 1.0 | standard |
| 7.60858 | 0.499219 | standard |
| 7.6169 | 0.525804 | standard |
| 7.91487 | 0.525805 | standard |
| 7.92319 | 0.49922 | standard |
| 8.8373 | 1.0 | standard |
| 7.60888 | 0.499968 | standard |
| 7.6167 | 0.524897 | standard |
| 7.91517 | 0.524897 | standard |
| 7.92299 | 0.499969 | standard |
| 8.8373 | 1.0 | standard |
| 7.60927 | 0.501428 | standard |
| 7.61621 | 0.523584 | standard |
| 7.91556 | 0.523585 | standard |
| 7.9225 | 0.501428 | standard |
| 8.8373 | 1.0 | standard |
| 7.60947 | 0.501757 | standard |
| 7.61611 | 0.522758 | standard |
| 7.91576 | 0.523115 | standard |
| 7.9223 | 0.502129 | standard |
| 8.8373 | 1.0 | standard |
| 7.60967 | 0.502533 | standard |
| 7.61591 | 0.522474 | standard |
| 7.91586 | 0.522475 | standard |
| 7.9221 | 0.502533 | standard |
| 8.8373 | 1.0 | standard |
| 7.61036 | 0.512232 | standard |
| 7.61522 | 0.512233 | standard |
| 7.91655 | 0.512233 | standard |
| 7.92141 | 0.512233 | standard |
| 8.8373 | 1.0 | standard |