Phthalic-acid
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.01569 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12) | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Phthalic acid | Solute | 100mM |
| D2O | Solvent | 100% |
| sodium phosphate | Buffer | 50mM |
| sodium azide | Cytocide | 500uM |
| DSS | Reference | 500uM |
Spin System Matrix
| 13 | 14 | 15 | 16 | |
|---|---|---|---|---|
| 13 | 7.395 | 7.499 | 1.19 | 7.846 |
| 14 | 0 | 7.395 | 7.846 | 1.19 |
| 15 | 0 | 0 | 7.46 | 0 |
| 16 | 0 | 0 | 0 | 7.46 |
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 |
|---|---|---|
| 7.37659 | 0.0975205 | standard |
| 7.38461 | 0.602569 | standard |
| 7.39121 | 0.702962 | standard |
| 7.39616 | 0.762552 | standard |
| 7.40275 | 1.00009 | standard |
| 7.41083 | 0.216482 | standard |
| 7.4435 | 0.216482 | standard |
| 7.45158 | 1.00009 | standard |
| 7.45817 | 0.762552 | standard |
| 7.46312 | 0.702962 | standard |
| 7.46972 | 0.602569 | standard |
| 7.47774 | 0.0975205 | standard |
| -0.921597 | 8.125e-06 | standard |
| 7.42716 | 1.0 | standard |
| -0.811302 | 4.125e-06 | standard |
| 7.2705 | 0.0273812 | standard |
| 7.42716 | 1.0 | standard |
| 7.58393 | 0.0273811 | standard |
| -0.805946 | 3.125e-06 | standard |
| 7.30541 | 0.0469345 | standard |
| 7.42716 | 1.0 | standard |
| 7.54892 | 0.0469345 | standard |
| -0.889263 | 3.125e-06 | standard |
| 7.31709 | 0.0614582 | standard |
| 7.33219 | 0.0481302 | standard |
| 7.42164 | 1.0 | standard |
| 7.43268 | 0.999587 | standard |
| 7.52218 | 0.048134 | standard |
| 7.53724 | 0.0614602 | standard |
| -0.986465 | 3.125e-06 | standard |
| 7.32639 | 0.075835 | standard |
| 7.3438 | 0.0587805 | standard |
| 7.37609 | 0.153188 | standard |
| 7.41961 | 1.0 | standard |
| 7.43472 | 1.0 | standard |
| 7.47824 | 0.153188 | standard |
| 7.51053 | 0.0587802 | standard |
| 7.52794 | 0.075835 | standard |
| -0.369923 | 1.125e-06 | standard |
| 7.34916 | 0.0576764 | standard |
| 7.36565 | 0.287257 | standard |
| 7.38377 | 0.372633 | standard |
| 7.39135 | 0.383507 | standard |
| 7.39838 | 0.463041 | standard |
| 7.41173 | 1.00004 | standard |
| 7.42716 | 0.569248 | standard |
| 7.4426 | 1.00004 | standard |
| 7.45595 | 0.463041 | standard |
| 7.46298 | 0.383507 | standard |
| 7.47055 | 0.372633 | standard |
| 7.48868 | 0.287257 | standard |
| 7.50517 | 0.0576764 | standard |
| -0.82618 | 1.125e-06 | standard |
| 7.36427 | 0.0750054 | standard |
| 7.37681 | 0.433303 | standard |
| 7.38791 | 0.56693 | standard |
| 7.39668 | 0.592357 | standard |
| 7.40709 | 1.00011 | standard |
| 7.41988 | 0.270318 | standard |
| 7.4345 | 0.272708 | standard |
| 7.44724 | 1.00013 | standard |
| 7.45765 | 0.591993 | standard |
| 7.46647 | 0.565047 | standard |
| 7.47752 | 0.433552 | standard |
| 7.49006 | 0.0750343 | standard |
| 7.37196 | 0.0874342 | standard |
| 7.38179 | 0.534491 | standard |
| 7.39004 | 0.650723 | standard |
| 7.3963 | 0.698709 | standard |
| 7.40449 | 1.00019 | standard |
| 7.41436 | 0.233533 | standard |
| 7.43996 | 0.233482 | standard |
| 7.44984 | 0.999606 | standard |
| 7.45808 | 0.707071 | standard |
| 7.46429 | 0.651462 | standard |
| 7.47254 | 0.534573 | standard |
| 7.48237 | 0.0874524 | standard |
| 7.37659 | 0.0966323 | standard |
| 7.38461 | 0.597195 | standard |
| 7.39121 | 0.696632 | standard |
| 7.39616 | 0.755631 | standard |
| 7.40275 | 0.991017 | standard |
| 7.41083 | 0.214471 | standard |
| 7.4435 | 0.213954 | standard |
| 7.45163 | 1.00029 | standard |
| 7.45816 | 0.756387 | standard |
| 7.46312 | 0.696792 | standard |
| 7.46972 | 0.597239 | standard |
| 7.47774 | 0.0966474 | standard |
| 7.37967 | 0.105368 | standard |
| 7.38643 | 0.653401 | standard |
| 7.39189 | 0.738669 | standard |
| 7.39601 | 0.800531 | standard |
| 7.40146 | 1.00013 | standard |
| 7.40827 | 0.205718 | standard |
| 7.44606 | 0.205718 | standard |
| 7.45287 | 1.00013 | standard |
| 7.45832 | 0.800531 | standard |
| 7.46244 | 0.738669 | standard |
| 7.4679 | 0.653401 | standard |
| 7.47466 | 0.105368 | standard |
| 7.38187 | 0.112628 | standard |
| 7.38767 | 0.695822 | standard |
| 7.39238 | 0.765752 | standard |
| 7.39591 | 0.829743 | standard |
| 7.40062 | 1.00067 | standard |
| 7.40644 | 0.199644 | standard |
| 7.44788 | 0.199612 | standard |
| 7.45371 | 1.00051 | standard |
| 7.45842 | 0.828048 | standard |
| 7.462 | 0.767648 | standard |
| 7.46666 | 0.696583 | standard |
| 7.47246 | 0.112704 | standard |
| 7.38269 | 0.115251 | standard |
| 7.38821 | 0.72071 | standard |
| 7.39253 | 0.782466 | standard |
| 7.39586 | 0.845641 | standard |
| 7.40022 | 1.00077 | standard |
| 7.40571 | 0.198328 | standard |
| 7.44862 | 0.198328 | standard |
| 7.45411 | 1.00077 | standard |
| 7.45847 | 0.845641 | standard |
| 7.4618 | 0.782466 | standard |
| 7.46612 | 0.72071 | standard |
| 7.47164 | 0.115251 | standard |
| 7.38343 | 0.116492 | standard |
| 7.3886 | 0.728291 | standard |
| 7.39273 | 0.789967 | standard |
| 7.39576 | 0.847086 | standard |
| 7.39987 | 1.00015 | standard |
| 7.40507 | 0.195037 | standard |
| 7.44925 | 0.195037 | standard |
| 7.45445 | 1.00015 | standard |
| 7.45857 | 0.847086 | standard |
| 7.4616 | 0.789967 | standard |
| 7.46573 | 0.728291 | standard |
| 7.4709 | 0.116492 | standard |
| 7.38471 | 0.12079 | standard |
| 7.38929 | 0.750059 | standard |
| 7.39292 | 0.80047 | standard |
| 7.39571 | 0.858168 | standard |
| 7.39933 | 1.00134 | standard |
| 7.40399 | 0.189945 | standard |
| 7.45034 | 0.189945 | standard |
| 7.455 | 1.00134 | standard |
| 7.45862 | 0.858168 | standard |
| 7.46141 | 0.80047 | standard |
| 7.46503 | 0.750059 | standard |
| 7.46962 | 0.12079 | standard |
| 7.38525 | 0.124303 | standard |
| 7.38959 | 0.76523 | standard |
| 7.39301 | 0.81118 | standard |
| 7.39571 | 0.867373 | standard |
| 7.39908 | 1.0002 | standard |
| 7.4035 | 0.18987 | standard |
| 7.45083 | 0.189758 | standard |
| 7.45525 | 0.999031 | standard |
| 7.45867 | 0.857084 | standard |
| 7.46131 | 0.813885 | standard |
| 7.46474 | 0.765485 | standard |
| 7.46908 | 0.124354 | standard |
| 7.38574 | 0.126431 | standard |
| 7.38989 | 0.778224 | standard |
| 7.39311 | 0.824731 | standard |
| 7.39561 | 0.874763 | standard |
| 7.39888 | 1.00018 | standard |
| 7.40305 | 0.190899 | standard |
| 7.45127 | 0.190877 | standard |
| 7.45544 | 1.00011 | standard |
| 7.45872 | 0.874499 | standard |
| 7.46122 | 0.823368 | standard |
| 7.46449 | 0.783915 | standard |
| 7.46859 | 0.127072 | standard |
| 7.38652 | 0.12814 | standard |
| 7.39033 | 0.796399 | standard |
| 7.39331 | 0.831066 | standard |
| 7.39556 | 0.884649 | standard |
| 7.39854 | 1.00218 | standard |
| 7.40231 | 0.18626 | standard |
| 7.45202 | 0.18626 | standard |
| 7.45579 | 1.00218 | standard |
| 7.45877 | 0.884649 | standard |
| 7.46102 | 0.831066 | standard |
| 7.464 | 0.796399 | standard |
| 7.46781 | 0.12814 | standard |
| 7.3878 | 0.135049 | standard |
| 7.39102 | 0.833455 | standard |
| 7.3935 | 0.855604 | standard |
| 7.39547 | 0.90245 | standard |
| 7.39794 | 1.003 | standard |
| 7.40118 | 0.185398 | standard |
| 7.45315 | 0.185398 | standard |
| 7.45639 | 1.003 | standard |
| 7.45886 | 0.90245 | standard |
| 7.46083 | 0.855604 | standard |
| 7.4633 | 0.833455 | standard |
| 7.46653 | 0.135049 | standard |