Trans-2-Hydroxycinnamic-acid
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.01832 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+ | |
| Note 1 | no qm | |
| Note 2 | 15,16? | |
| Note 3 | 14.13? | |
| Note 4 | 17,18? |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| trans-2-Hydroxycinnamic acid | Solute | 100mM |
| D2O | Solvent | 100% |
| sodium phosphate | Buffer | 50mM |
| sodium azide | Cytocide | 500uM |
| DSS | Reference | 500uM |
Spin System Matrix
| 14 | 13 | 15 | 16 | 17 | 18 | |
|---|---|---|---|---|---|---|
| 14 | 6.98 | 6.772 | 1.088 | 7.882 | 0 | 0 |
| 13 | 0 | 7.286 | 8.349 | 1.301 | 0 | 0 |
| 15 | 0 | 0 | 6.954 | 0 | 0 | 0 |
| 16 | 0 | 0 | 0 | 7.579 | 0 | 0 |
| 17 | 0 | 0 | 0 | 0 | 7.649 | 16.098 |
| 18 | 0 | 0 | 0 | 0 | 0 | 6.533 |
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 |
|---|---|---|
| 6.51673 | 0.87012 | standard |
| 6.54897 | 0.921321 | standard |
| 6.94624 | 0.673235 | standard |
| 6.96345 | 1.00003 | standard |
| 6.97975 | 0.659498 | standard |
| 6.99394 | 0.392279 | standard |
| 7.27094 | 0.359685 | standard |
| 7.27244 | 0.363326 | standard |
| 7.28676 | 0.594965 | standard |
| 7.30108 | 0.304457 | standard |
| 7.30259 | 0.300829 | standard |
| 7.57051 | 0.650763 | standard |
| 7.57213 | 0.653345 | standard |
| 7.58628 | 0.62793 | standard |
| 7.58779 | 0.62495 | standard |
| 7.63347 | 0.923733 | standard |
| 7.66571 | 0.87103 | standard |
| -0.993508 | 3.3125e-05 | standard |
| 6.29666 | 0.284422 | standard |
| 6.69944 | 0.597508 | standard |
| 6.8015 | 0.185964 | standard |
| 6.84979 | 0.213112 | standard |
| 7.00981 | 0.508462 | standard |
| 7.03569 | 0.514189 | standard |
| 7.09936 | 0.539837 | standard |
| 7.13447 | 0.474787 | standard |
| 7.17994 | 0.444318 | standard |
| 7.28306 | 0.178258 | standard |
| 7.36279 | 0.207263 | standard |
| 7.48362 | 1.0 | standard |
| 7.6176 | 0.151053 | standard |
| 7.66889 | 0.204841 | standard |
| 7.71039 | 0.159191 | standard |
| 7.88562 | 0.290712 | standard |
| -0.994003 | 1.8125e-05 | standard |
| 6.38304 | 0.396927 | standard |
| 6.65134 | 0.640092 | standard |
| 6.86138 | 0.289374 | standard |
| 6.88371 | 0.289689 | standard |
| 6.96382 | 0.446052 | standard |
| 7.0008 | 0.623169 | standard |
| 7.07171 | 0.427834 | standard |
| 7.17811 | 0.326004 | standard |
| 7.20021 | 0.372017 | standard |
| 7.27892 | 0.182804 | standard |
| 7.32069 | 0.257702 | standard |
| 7.4225 | 0.1291 | standard |
| 7.44421 | 0.136509 | standard |
| 7.52991 | 1.0 | standard |
| 7.63808 | 0.291339 | standard |
| 7.66159 | 0.234795 | standard |
| 7.79937 | 0.403527 | standard |
| -0.971191 | 1.3125e-05 | standard |
| 6.4235 | 0.556893 | standard |
| 6.62475 | 0.79504 | standard |
| 6.88891 | 0.485287 | standard |
| 6.97173 | 0.662938 | standard |
| 6.99157 | 0.867152 | standard |
| 7.05409 | 0.470872 | standard |
| 7.20134 | 0.381141 | standard |
| 7.21509 | 0.419561 | standard |
| 7.27811 | 0.247682 | standard |
| 7.30562 | 0.372605 | standard |
| 7.38552 | 0.155587 | standard |
| 7.39835 | 0.149245 | standard |
| 7.55648 | 1.0 | standard |
| 7.62315 | 0.414887 | standard |
| 7.63855 | 0.344428 | standard |
| 7.75893 | 0.564059 | standard |
| -0.956313 | 1.1125e-05 | standard |
| 6.43649 | 0.617521 | standard |
| 6.61542 | 0.846238 | standard |
| 6.89803 | 0.581334 | standard |
| 6.9886 | 0.983743 | standard |
| 7.04737 | 0.481647 | standard |
| 7.20958 | 0.397715 | standard |
| 7.22108 | 0.431964 | standard |
| 7.27819 | 0.274675 | standard |
| 7.30179 | 0.416611 | standard |
| 7.37393 | 0.173733 | standard |
| 7.38452 | 0.167311 | standard |
| 7.53519 | 0.69483 | standard |
| 7.56673 | 1.0 | standard |
| 7.6181 | 0.467272 | standard |
| 7.74584 | 0.624583 | standard |
| -0.971488 | 9.125e-06 | standard |
| 6.44681 | 0.615853 | standard |
| 6.60779 | 0.816448 | standard |
| 6.90539 | 0.614498 | standard |
| 6.98643 | 1.00001 | standard |
| 7.0417 | 0.448616 | standard |
| 7.2163 | 0.377027 | standard |
| 7.22618 | 0.404919 | standard |
| 7.2785 | 0.275164 | standard |
| 7.29897 | 0.418299 | standard |
| 7.36458 | 0.171676 | standard |
| 7.37407 | 0.167447 | standard |
| 7.53881 | 0.647581 | standard |
| 7.57447 | 0.9542 | standard |
| 7.614 | 0.476718 | standard |
| 7.73562 | 0.622136 | standard |
| -0.86159 | 2.125e-06 | standard |
| 6.49144 | 0.547138 | standard |
| 6.57188 | 0.630614 | standard |
| 6.93507 | 0.516246 | standard |
| 6.9754 | 1.00002 | standard |
| 7.01328 | 0.297163 | standard |
| 7.24914 | 0.263456 | standard |
| 7.25329 | 0.271576 | standard |
| 7.28719 | 0.38321 | standard |
| 7.32395 | 0.174465 | standard |
| 7.32818 | 0.171055 | standard |
| 7.55771 | 0.456523 | standard |
| 7.61019 | 0.752295 | standard |
| 7.691 | 0.549494 | standard |
| -0.406622 | 1.125e-06 | standard |
| 6.50562 | 0.897719 | standard |
| 6.55928 | 0.986773 | standard |
| 6.9409 | 0.711633 | standard |
| 6.95405 | 0.445998 | standard |
| 6.96882 | 0.950078 | standard |
| 6.97811 | 0.753432 | standard |
| 7.00275 | 0.440182 | standard |
| 7.26096 | 0.398573 | standard |
| 7.26364 | 0.403328 | standard |
| 7.28713 | 0.63099 | standard |
| 7.31106 | 0.300794 | standard |
| 7.31374 | 0.296284 | standard |
| 7.56486 | 0.68693 | standard |
| 7.56782 | 0.685672 | standard |
| 7.59117 | 0.661961 | standard |
| 7.59346 | 0.65715 | standard |
| 7.62315 | 1.0 | standard |
| 7.67682 | 0.899857 | standard |
| -0.741178 | 1.125e-06 | standard |
| 6.51257 | 0.904864 | standard |
| 6.55284 | 0.971772 | standard |
| 6.9443 | 0.700007 | standard |
| 6.96338 | 1.0 | standard |
| 6.97953 | 0.69974 | standard |
| 6.99732 | 0.423991 | standard |
| 7.26725 | 0.387829 | standard |
| 7.26903 | 0.391573 | standard |
| 7.28689 | 0.622781 | standard |
| 7.30473 | 0.310276 | standard |
| 7.30674 | 0.306101 | standard |
| 7.56846 | 0.687129 | standard |
| 7.57046 | 0.689133 | standard |
| 7.58808 | 0.655262 | standard |
| 7.58998 | 0.651762 | standard |
| 7.6296 | 0.976592 | standard |
| 7.66977 | 0.90625 | standard |
| 6.51673 | 0.870248 | standard |
| 6.54897 | 0.921441 | standard |
| 6.94625 | 0.673242 | standard |
| 6.96345 | 1.00003 | standard |
| 6.97975 | 0.659507 | standard |
| 6.99394 | 0.392265 | standard |
| 7.27093 | 0.359665 | standard |
| 7.27245 | 0.363309 | standard |
| 7.28676 | 0.594974 | standard |
| 7.30108 | 0.304457 | standard |
| 7.30259 | 0.300828 | standard |
| 7.57051 | 0.650752 | standard |
| 7.57213 | 0.653334 | standard |
| 7.58628 | 0.627926 | standard |
| 7.58779 | 0.624946 | standard |
| 7.63347 | 0.923851 | standard |
| 7.66571 | 0.871158 | standard |
| 6.51951 | 0.951904 | standard |
| 6.54639 | 0.998377 | standard |
| 6.94758 | 0.73977 | standard |
| 6.96156 | 0.839249 | standard |
| 6.96696 | 0.446612 | standard |
| 6.9799 | 0.714052 | standard |
| 6.99172 | 0.422805 | standard |
| 7.27339 | 0.383211 | standard |
| 7.27473 | 0.387348 | standard |
| 7.28661 | 0.646917 | standard |
| 7.2985 | 0.334312 | standard |
| 7.29984 | 0.330179 | standard |
| 7.57192 | 0.706423 | standard |
| 7.57325 | 0.709508 | standard |
| 7.58507 | 0.687632 | standard |
| 7.58628 | 0.684979 | standard |
| 7.63605 | 1.0 | standard |
| 7.66293 | 0.952634 | standard |
| 6.52149 | 0.958883 | standard |
| 6.5445 | 0.998888 | standard |
| 6.9485 | 0.752801 | standard |
| 6.9605 | 0.810311 | standard |
| 6.96917 | 0.416689 | standard |
| 6.97989 | 0.715432 | standard |
| 6.9901 | 0.416759 | standard |
| 7.2752 | 0.379321 | standard |
| 7.27637 | 0.383466 | standard |
| 7.28657 | 0.652202 | standard |
| 7.29676 | 0.337981 | standard |
| 7.29793 | 0.333832 | standard |
| 7.57294 | 0.692306 | standard |
| 7.57411 | 0.695597 | standard |
| 7.58412 | 0.695874 | standard |
| 7.58529 | 0.692606 | standard |
| 7.63794 | 1.0 | standard |
| 7.66095 | 0.959447 | standard |
| 6.52229 | 0.999037 | standard |
| 6.54371 | 0.999041 | standard |
| 6.94898 | 0.748334 | standard |
| 6.9601 | 0.808459 | standard |
| 6.96982 | 0.406903 | standard |
| 6.9799 | 0.729059 | standard |
| 6.98933 | 0.413089 | standard |
| 7.27595 | 0.383166 | standard |
| 7.2771 | 0.387581 | standard |
| 7.28657 | 0.660984 | standard |
| 7.29603 | 0.344536 | standard |
| 7.29718 | 0.340105 | standard |
| 7.5733 | 0.701869 | standard |
| 7.57444 | 0.70523 | standard |
| 7.58379 | 0.705452 | standard |
| 7.58494 | 0.702114 | standard |
| 7.63873 | 1.0 | standard |
| 7.66015 | 0.999548 | standard |
| 6.52298 | 0.999209 | standard |
| 6.54302 | 0.999213 | standard |
| 6.94929 | 0.750291 | standard |
| 6.95969 | 0.816584 | standard |
| 6.97052 | 0.402885 | standard |
| 6.9799 | 0.730336 | standard |
| 6.98888 | 0.424153 | standard |
| 7.27669 | 0.390774 | standard |
| 7.27757 | 0.394434 | standard |
| 7.28658 | 0.663747 | standard |
| 7.29541 | 0.344767 | standard |
| 7.29651 | 0.340284 | standard |
| 7.57367 | 0.699758 | standard |
| 7.57477 | 0.703233 | standard |
| 7.58347 | 0.703411 | standard |
| 7.58457 | 0.699958 | standard |
| 7.63932 | 1.0 | standard |
| 7.65946 | 0.99963 | standard |
| 6.52407 | 0.999413 | standard |
| 6.54193 | 0.999416 | standard |
| 6.94979 | 0.762705 | standard |
| 6.95912 | 0.80918 | standard |
| 6.97162 | 0.403623 | standard |
| 6.97989 | 0.730732 | standard |
| 6.98777 | 0.403698 | standard |
| 7.27768 | 0.379598 | standard |
| 7.27864 | 0.38413 | standard |
| 7.28645 | 0.662397 | standard |
| 7.29439 | 0.348008 | standard |
| 7.29535 | 0.343539 | standard |
| 7.57424 | 0.70177 | standard |
| 7.57519 | 0.705089 | standard |
| 7.58311 | 0.726464 | standard |
| 7.58383 | 0.723956 | standard |
| 7.64042 | 1.0 | standard |
| 7.65837 | 0.999743 | standard |
| 6.52457 | 0.999447 | standard |
| 6.54153 | 0.999449 | standard |
| 6.95015 | 0.746766 | standard |
| 6.95881 | 0.817625 | standard |
| 6.97206 | 0.393569 | standard |
| 6.97996 | 0.735803 | standard |
| 6.98738 | 0.407054 | standard |
| 7.27828 | 0.393844 | standard |
| 7.27887 | 0.396857 | standard |
| 7.28645 | 0.663641 | standard |
| 7.294 | 0.350929 | standard |
| 7.29485 | 0.346672 | standard |
| 7.57453 | 0.706283 | standard |
| 7.57539 | 0.709428 | standard |
| 7.58284 | 0.70953 | standard |
| 7.5837 | 0.706399 | standard |
| 7.64091 | 1.0 | standard |
| 7.65787 | 0.999783 | standard |
| 6.52497 | 0.999553 | standard |
| 6.54103 | 0.999555 | standard |
| 6.95033 | 0.758498 | standard |
| 6.95866 | 0.798725 | standard |
| 6.97248 | 0.398042 | standard |
| 6.98001 | 0.735188 | standard |
| 6.98709 | 0.412012 | standard |
| 7.27859 | 0.384025 | standard |
| 7.27933 | 0.387985 | standard |
| 7.28647 | 0.658734 | standard |
| 7.2936 | 0.355127 | standard |
| 7.29435 | 0.351169 | standard |
| 7.57484 | 0.713724 | standard |
| 7.57558 | 0.716671 | standard |
| 7.58265 | 0.716757 | standard |
| 7.58339 | 0.713821 | standard |
| 7.64131 | 1.0 | standard |
| 7.65747 | 0.999815 | standard |
| 6.52576 | 0.999605 | standard |
| 6.54034 | 0.999606 | standard |
| 6.95065 | 0.759203 | standard |
| 6.95828 | 0.794894 | standard |
| 6.97319 | 0.399722 | standard |
| 6.98002 | 0.73058 | standard |
| 6.98646 | 0.407547 | standard |
| 7.27923 | 0.37958 | standard |
| 7.27995 | 0.383754 | standard |
| 7.28646 | 0.645472 | standard |
| 7.29297 | 0.358521 | standard |
| 7.29368 | 0.352128 | standard |
| 7.57519 | 0.709082 | standard |
| 7.57591 | 0.712182 | standard |
| 7.58232 | 0.712242 | standard |
| 7.58304 | 0.709154 | standard |
| 7.6421 | 1.0 | standard |
| 7.65668 | 0.999863 | standard |
| 6.52685 | 0.999728 | standard |
| 6.53925 | 0.999729 | standard |
| 6.95115 | 0.793527 | standard |
| 6.95759 | 0.794415 | standard |
| 6.97433 | 0.412082 | standard |
| 6.98004 | 0.734837 | standard |
| 6.98542 | 0.392545 | standard |
| 7.2804 | 0.367735 | standard |
| 7.28097 | 0.371495 | standard |
| 7.28642 | 0.665267 | standard |
| 7.29197 | 0.370779 | standard |
| 7.29253 | 0.367208 | standard |
| 7.57577 | 0.713878 | standard |
| 7.57633 | 0.716696 | standard |
| 7.58181 | 0.716732 | standard |
| 7.58237 | 0.713918 | standard |
| 7.64319 | 1.0 | standard |
| 7.65559 | 0.999918 | standard |