4-Nitrophenyl-phosphate
Simulation outputs:
|
Parameter | Value |
| Field strength | 400.13(MHz) | |
| RMSD of the fit | 0.01534 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12) | |
| Note 1 | 15,16?17,18 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 4-Nitrophenyl phosphate | Solute | saturationmM |
| D2O | Solvent | 100% |
| sodium phosphate | Buffer | 50mM |
| sodium azide | Cytocide | 500uM |
| DSS | Reference | 500uM |
Spin System Matrix
| 15 | 17 | 18 | 16 | |
|---|---|---|---|---|
| 15 | 8.22 | 8.9 | 0 | 2.0 |
| 17 | 0 | 7.319 | 2.0 | 0 |
| 18 | 0 | 0 | 7.319 | 8.9 |
| 16 | 0 | 0 | 0 | 8.22 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| -0.713108 | 1.125e-06 | standard |
| 7.30762 | 0.98159 | standard |
| 7.32979 | 0.997711 | standard |
| 8.20893 | 1.00009 | standard |
| 8.23099 | 0.983977 | standard |
| -0.991425 | 5.7125e-05 | standard |
| 7.19434 | 0.625303 | standard |
| 7.41643 | 0.99988 | standard |
| 8.12222 | 1.0 | standard |
| 8.34438 | 0.625315 | standard |
| -0.98349 | 2.7125e-05 | standard |
| 7.23896 | 0.731352 | standard |
| 7.38661 | 1.0 | standard |
| 8.152 | 0.999677 | standard |
| 8.29972 | 0.731242 | standard |
| -0.988449 | 1.6125e-05 | standard |
| 7.26005 | 0.790458 | standard |
| 7.37077 | 0.999759 | standard |
| 8.16788 | 1.0 | standard |
| 8.27856 | 0.790411 | standard |
| -0.996781 | 1.3125e-05 | standard |
| 7.26699 | 0.811467 | standard |
| 7.36531 | 1.00001 | standard |
| 8.1733 | 0.999512 | standard |
| 8.27166 | 0.811304 | standard |
| -0.931119 | 1.0125e-05 | standard |
| 7.27241 | 0.828065 | standard |
| 7.36087 | 1.00001 | standard |
| 8.17774 | 0.999455 | standard |
| 8.2662 | 0.828562 | standard |
| -0.938856 | 3.125e-06 | standard |
| 7.29619 | 0.908295 | standard |
| 7.34043 | 0.998882 | standard |
| 8.19828 | 1.00007 | standard |
| 8.24246 | 0.907801 | standard |
| -0.286805 | 1.125e-06 | standard |
| 7.30387 | 0.936234 | standard |
| 7.33334 | 0.998531 | standard |
| 8.20538 | 1.0 | standard |
| 8.23484 | 0.936443 | standard |
| -0.712612 | 1.125e-06 | standard |
| 7.30762 | 0.981585 | standard |
| 7.32979 | 0.99771 | standard |
| 8.20893 | 1.00009 | standard |
| 8.23099 | 0.983971 | standard |
| 7.30988 | 0.996096 | standard |
| 7.32762 | 0.997301 | standard |
| 8.21109 | 1.00032 | standard |
| 8.22873 | 0.999117 | standard |
| 7.31136 | 0.996803 | standard |
| 7.32614 | 1.00074 | standard |
| 8.21247 | 0.997847 | standard |
| 8.22725 | 0.999748 | standard |
| 7.31245 | 0.996703 | standard |
| 7.32506 | 1.00082 | standard |
| 8.21355 | 0.996703 | standard |
| 8.22617 | 1.00082 | standard |
| 7.31294 | 1.00034 | standard |
| 7.32467 | 1.00034 | standard |
| 8.21395 | 1.00074 | standard |
| 8.22577 | 1.00074 | standard |
| 7.31323 | 1.00069 | standard |
| 7.32437 | 1.00069 | standard |
| 8.21434 | 1.00026 | standard |
| 8.22538 | 1.00026 | standard |
| 7.31393 | 1.00087 | standard |
| 7.32368 | 1.00087 | standard |
| 8.21493 | 0.996205 | standard |
| 8.22479 | 0.996205 | standard |
| 7.31412 | 0.995845 | standard |
| 7.32348 | 0.995001 | standard |
| 8.21523 | 1.00088 | standard |
| 8.22449 | 0.995239 | standard |
| 7.31442 | 0.994877 | standard |
| 7.32318 | 1.00093 | standard |
| 8.21543 | 0.9955 | standard |
| 8.2243 | 0.995499 | standard |
| 7.31481 | 1.00082 | standard |
| 7.32279 | 0.999898 | standard |
| 8.21582 | 1.00055 | standard |
| 8.2239 | 0.994225 | standard |
| 7.3154 | 1.0008 | standard |
| 7.3222 | 1.0008 | standard |
| 8.21641 | 1.0008 | standard |
| 8.22321 | 1.0008 | standard |