P-coumaric-acid
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.01897 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+ | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| p-coumaric acid | Solute | Saturated1 |
| DMSO | Solvent | 100% |
| TMS | Reference | 0.01% |
Spin System Matrix
| 16 | 13 | 14 | 17 | 15 | 18 | |
|---|---|---|---|---|---|---|
| 16 | 7.513 | 8.094 | 0 | 0 | 0 | 0 |
| 13 | 0 | 6.79 | 0 | 0 | 0 | 0 |
| 14 | 0 | 0 | 6.79 | 8.094 | 0 | 0 |
| 17 | 0 | 0 | 0 | 7.513 | 0 | 0 |
| 15 | 0 | 0 | 0 | 0 | 7.496 | 15.953 |
| 18 | 0 | 0 | 0 | 0 | 0 | 6.29 |
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 |
|---|---|---|
| 6.27353 | 0.453574 | standard |
| 6.30547 | 0.478015 | standard |
| 6.78156 | 0.921484 | standard |
| 6.79772 | 0.962362 | standard |
| 7.48053 | 0.486172 | standard |
| 7.50554 | 1.00012 | standard |
| 7.51241 | 0.567319 | standard |
| 7.52168 | 0.942916 | standard |
| -0.974265 | 2.7125e-05 | standard |
| 6.05821 | 0.26288 | standard |
| 6.45708 | 0.507858 | standard |
| 6.67479 | 0.574084 | standard |
| 6.87705 | 0.970845 | standard |
| 7.32972 | 0.563612 | standard |
| 7.4261 | 1.0 | standard |
| 7.62868 | 0.58551 | standard |
| 7.72695 | 0.30147 | standard |
| -0.961669 | 1.3125e-05 | standard |
| 6.14231 | 0.323612 | standard |
| 6.40823 | 0.499378 | standard |
| 6.71614 | 0.683653 | standard |
| 6.85097 | 0.975306 | standard |
| 7.37822 | 0.547502 | standard |
| 7.4522 | 1.0 | standard |
| 7.58738 | 0.710478 | standard |
| 7.64285 | 0.384371 | standard |
| -0.977737 | 8.125e-06 | standard |
| 6.18189 | 0.358478 | standard |
| 6.38124 | 0.496723 | standard |
| 6.73567 | 0.74814 | standard |
| 6.83679 | 0.978316 | standard |
| 7.40505 | 0.538227 | standard |
| 7.46641 | 1.00001 | standard |
| 7.56777 | 0.787343 | standard |
| 7.60329 | 0.444146 | standard |
| -0.916737 | 6.125e-06 | standard |
| 6.19458 | 0.370989 | standard |
| 6.37192 | 0.495919 | standard |
| 6.74201 | 0.771244 | standard |
| 6.83193 | 0.979488 | standard |
| 7.41433 | 0.534702 | standard |
| 7.47128 | 1.0 | standard |
| 7.56145 | 0.817547 | standard |
| 7.59041 | 0.471845 | standard |
| -0.915646 | 5.125e-06 | standard |
| 6.2047 | 0.381356 | standard |
| 6.36428 | 0.495296 | standard |
| 6.74707 | 0.790409 | standard |
| 6.82796 | 0.980477 | standard |
| 7.42194 | 0.531701 | standard |
| 7.47526 | 1.0 | standard |
| 7.55642 | 0.844788 | standard |
| 7.58017 | 0.499927 | standard |
| -0.515429 | 1.125e-06 | standard |
| 6.24853 | 0.357329 | standard |
| 6.32828 | 0.407368 | standard |
| 6.76897 | 0.731149 | standard |
| 6.80942 | 0.814801 | standard |
| 7.45774 | 0.425436 | standard |
| 7.49382 | 0.826922 | standard |
| 7.53511 | 1.00002 | standard |
| -0.94808 | 1.125e-06 | standard |
| 6.26252 | 0.398968 | standard |
| 6.31568 | 0.435414 | standard |
| 6.77601 | 0.813057 | standard |
| 6.80298 | 0.874008 | standard |
| 7.47032 | 0.44864 | standard |
| 7.50027 | 0.887296 | standard |
| 7.52681 | 1.00009 | standard |
| 6.26946 | 0.456334 | standard |
| 6.30933 | 0.487262 | standard |
| 6.77948 | 0.928128 | standard |
| 6.79971 | 0.979855 | standard |
| 7.47676 | 0.498152 | standard |
| 7.50355 | 1.00002 | standard |
| 7.51678 | 0.591479 | standard |
| 7.52372 | 0.979401 | standard |
| 6.27353 | 0.453573 | standard |
| 6.30547 | 0.478026 | standard |
| 6.78156 | 0.921493 | standard |
| 6.79772 | 0.962359 | standard |
| 7.48063 | 0.486227 | standard |
| 7.50554 | 1.00012 | standard |
| 7.51241 | 0.567281 | standard |
| 7.52168 | 0.942918 | standard |
| 6.27631 | 0.431787 | standard |
| 6.30289 | 0.451087 | standard |
| 6.78295 | 0.892632 | standard |
| 6.79644 | 0.892632 | standard |
| 7.48321 | 0.457207 | standard |
| 7.5069 | 1.00001 | standard |
| 7.52029 | 0.904074 | standard |
| 6.27819 | 0.330866 | standard |
| 6.301 | 0.330868 | standard |
| 6.78394 | 0.669155 | standard |
| 6.79544 | 0.669155 | standard |
| 7.48499 | 0.334575 | standard |
| 7.5078 | 1.0 | standard |
| 7.5193 | 0.674725 | standard |
| 6.27898 | 0.381211 | standard |
| 6.30031 | 0.381221 | standard |
| 6.78434 | 0.770842 | standard |
| 6.79515 | 0.770842 | standard |
| 7.48578 | 0.385124 | standard |
| 7.50798 | 1.00012 | standard |
| 7.51891 | 0.776366 | standard |
| 6.27968 | 0.435654 | standard |
| 6.29961 | 0.435655 | standard |
| 6.78464 | 0.880949 | standard |
| 6.79475 | 0.880949 | standard |
| 7.48648 | 0.439746 | standard |
| 7.50842 | 1.00022 | standard |
| 7.51861 | 0.886108 | standard |
| 6.28077 | 0.475928 | standard |
| 6.29852 | 0.47593 | standard |
| 6.78523 | 0.962305 | standard |
| 6.79425 | 0.962305 | standard |
| 7.48757 | 0.479724 | standard |
| 7.50527 | 0.556158 | standard |
| 7.50908 | 1.00007 | standard |
| 7.51802 | 0.966791 | standard |
| 6.28126 | 0.481978 | standard |
| 6.29803 | 0.481978 | standard |
| 6.78543 | 0.974579 | standard |
| 6.79396 | 0.974579 | standard |
| 7.48797 | 0.485498 | standard |
| 7.50475 | 0.536923 | standard |
| 7.50929 | 1.00001 | standard |
| 7.51782 | 0.978254 | standard |
| 6.28166 | 0.485396 | standard |
| 6.29763 | 0.485397 | standard |
| 6.78573 | 0.981762 | standard |
| 6.79376 | 0.981762 | standard |
| 7.48836 | 0.488681 | standard |
| 7.50435 | 0.525968 | standard |
| 7.50949 | 1.0 | standard |
| 7.51762 | 0.984691 | standard |
| 6.28245 | 0.489042 | standard |
| 6.29694 | 0.489043 | standard |
| 6.78603 | 0.988591 | standard |
| 6.79346 | 0.988591 | standard |
| 7.48916 | 0.491929 | standard |
| 7.50364 | 0.513592 | standard |
| 7.50989 | 1.0 | standard |
| 7.51722 | 0.991653 | standard |
| 6.28355 | 0.49196 | standard |
| 6.29584 | 0.49196 | standard |
| 6.78662 | 0.994729 | standard |
| 6.79287 | 0.994729 | standard |
| 7.49025 | 0.494249 | standard |
| 7.50245 | 0.50399 | standard |
| 7.51038 | 1.0 | standard |
| 7.51663 | 0.996581 | standard |