2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.00718 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | |
| Note 1 | Has contamination | |
| Note 2 | Oscar Li |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one | solute | 100mM |
| DMSO | solvent | 100.0% |
| TMS | reference | 0.05% |
Spin System Matrix
| 23 | 24 | 25 | 26 | 27 | |
|---|---|---|---|---|---|
| 23 | 7.548 | 8.553 | 2.257 | 0 | 0 |
| 24 | 0 | 6.892 | 0 | 0 | 0 |
| 25 | 0 | 0 | 7.688 | 0 | 0 |
| 26 | 0 | 0 | 0 | 6.193 | 1.737 |
| 27 | 0 | 0 | 0 | 0 | 6.414 |
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 |
|---|---|---|
| 6.19134 | 1.00083 | standard |
| 6.19474 | 1.00083 | standard |
| 6.41252 | 1.00084 | standard |
| 6.41592 | 1.00084 | standard |
| 6.88313 | 0.889738 | standard |
| 6.90029 | 0.936899 | standard |
| 7.53738 | 0.486202 | standard |
| 7.54181 | 0.514715 | standard |
| 7.55444 | 0.461258 | standard |
| 7.55897 | 0.487715 | standard |
| 7.68581 | 0.991225 | standard |
| 7.69029 | 0.937779 | standard |
| -0.956511 | 9.125e-06 | standard |
| 6.16985 | 0.481892 | standard |
| 6.21234 | 0.661789 | standard |
| 6.39482 | 0.662322 | standard |
| 6.43731 | 0.482728 | standard |
| 6.76983 | 0.241602 | standard |
| 6.98028 | 0.443493 | standard |
| 7.0185 | 0.15586 | standard |
| 7.42762 | 0.301444 | standard |
| 7.48218 | 0.428148 | standard |
| 7.67916 | 1.00001 | standard |
| -0.969009 | 6.125e-06 | standard |
| 6.178 | 0.726979 | standard |
| 6.20635 | 0.897891 | standard |
| 6.40091 | 0.898229 | standard |
| 6.42926 | 0.727432 | standard |
| 6.7468 | 0.0234371 | standard |
| 6.8146 | 0.54686 | standard |
| 6.9537 | 0.838391 | standard |
| 7.0221 | 0.037814 | standard |
| 7.46437 | 0.411976 | standard |
| 7.50126 | 0.54659 | standard |
| 7.60389 | 0.182605 | standard |
| 7.64075 | 0.56631 | standard |
| 7.67315 | 1.0 | standard |
| 7.70911 | 0.541811 | standard |
| -0.794242 | 3.125e-06 | standard |
| 6.18195 | 0.801675 | standard |
| 6.20322 | 0.938985 | standard |
| 6.40404 | 0.93919 | standard |
| 6.42531 | 0.801931 | standard |
| 6.83467 | 0.654302 | standard |
| 6.94031 | 0.903485 | standard |
| 7.48405 | 0.433719 | standard |
| 7.51179 | 0.550228 | standard |
| 7.58977 | 0.259036 | standard |
| 7.61748 | 0.486987 | standard |
| 7.67579 | 1.00002 | standard |
| 7.70348 | 0.667083 | standard |
| -0.925565 | 3.125e-06 | standard |
| 6.18321 | 0.826006 | standard |
| 6.20205 | 0.950926 | standard |
| 6.40511 | 0.950401 | standard |
| 6.42406 | 0.825375 | standard |
| 6.84127 | 0.686283 | standard |
| 6.9355 | 0.908255 | standard |
| 7.49077 | 0.440126 | standard |
| 7.51547 | 0.548676 | standard |
| 7.58495 | 0.285819 | standard |
| 7.60973 | 0.478606 | standard |
| 7.6769 | 1.0 | standard |
| 7.70162 | 0.699592 | standard |
| -0.737111 | 2.125e-06 | standard |
| 6.18417 | 0.843955 | standard |
| 6.20127 | 0.958655 | standard |
| 6.40599 | 0.959577 | standard |
| 6.42299 | 0.845045 | standard |
| 6.84658 | 0.711338 | standard |
| 6.93148 | 0.916547 | standard |
| 7.49621 | 0.44504 | standard |
| 7.51855 | 0.5466 | standard |
| 7.58114 | 0.307213 | standard |
| 7.60347 | 0.474947 | standard |
| 7.67783 | 1.00002 | standard |
| 7.70012 | 0.7305 | standard |
| -0.861788 | 1.125e-06 | standard |
| 6.18872 | 0.93713 | standard |
| 6.19717 | 0.998903 | standard |
| 6.40999 | 0.997169 | standard |
| 6.41854 | 0.935247 | standard |
| 6.86979 | 0.824569 | standard |
| 6.91244 | 0.937717 | standard |
| 7.52154 | 0.470481 | standard |
| 7.53276 | 0.531784 | standard |
| 7.56429 | 0.404978 | standard |
| 7.57551 | 0.478855 | standard |
| 7.68266 | 1.00002 | standard |
| 7.69383 | 0.864565 | standard |
| 6.19018 | 0.958698 | standard |
| 6.19581 | 1.00042 | standard |
| 6.41135 | 0.997731 | standard |
| 6.41709 | 0.955855 | standard |
| 6.87728 | 0.854406 | standard |
| 6.90574 | 0.93108 | standard |
| 7.53025 | 0.475019 | standard |
| 7.53773 | 0.518674 | standard |
| 7.55882 | 0.434018 | standard |
| 7.5662 | 0.480482 | standard |
| 7.68438 | 0.988793 | standard |
| 7.69186 | 0.898256 | standard |
| 6.19085 | 1.00039 | standard |
| 6.19513 | 1.00039 | standard |
| 6.41204 | 1.0004 | standard |
| 6.41631 | 1.0004 | standard |
| 6.88095 | 0.884272 | standard |
| 6.90232 | 0.94208 | standard |
| 7.53471 | 0.485785 | standard |
| 7.54032 | 0.52055 | standard |
| 7.55603 | 0.455115 | standard |
| 7.56164 | 0.48928 | standard |
| 7.68527 | 1.00018 | standard |
| 7.69088 | 0.930981 | standard |
| 6.19134 | 1.00083 | standard |
| 6.19474 | 1.00083 | standard |
| 6.41252 | 1.00084 | standard |
| 6.41592 | 1.00084 | standard |
| 6.88313 | 0.889789 | standard |
| 6.90029 | 0.936938 | standard |
| 7.53738 | 0.486207 | standard |
| 7.54181 | 0.514714 | standard |
| 7.55444 | 0.461271 | standard |
| 7.55897 | 0.487721 | standard |
| 7.68581 | 0.991235 | standard |
| 7.69029 | 0.937802 | standard |
| 6.19163 | 1.00086 | standard |
| 6.19445 | 1.00086 | standard |
| 6.41282 | 1.00087 | standard |
| 6.41563 | 1.00086 | standard |
| 6.88462 | 0.892954 | standard |
| 6.8989 | 0.932221 | standard |
| 7.53916 | 0.486529 | standard |
| 7.5428 | 0.51078 | standard |
| 7.55334 | 0.46584 | standard |
| 7.55708 | 0.487217 | standard |
| 7.68615 | 0.987252 | standard |
| 7.68989 | 0.941326 | standard |
| 6.19182 | 1.00084 | standard |
| 6.19425 | 1.00084 | standard |
| 6.41301 | 1.00084 | standard |
| 6.41544 | 1.00084 | standard |
| 6.88561 | 0.913547 | standard |
| 6.89791 | 0.913546 | standard |
| 7.54035 | 0.475884 | standard |
| 7.5436 | 0.497216 | standard |
| 7.55265 | 0.479214 | standard |
| 7.5558 | 0.497282 | standard |
| 7.68645 | 0.98687 | standard |
| 7.6896 | 0.947571 | standard |
| 6.19192 | 1.00091 | standard |
| 6.19415 | 1.00091 | standard |
| 6.41301 | 0.993885 | standard |
| 6.41534 | 0.993884 | standard |
| 6.8861 | 0.911441 | standard |
| 6.89751 | 0.911441 | standard |
| 7.54084 | 0.475038 | standard |
| 7.5439 | 0.495186 | standard |
| 7.55225 | 0.476891 | standard |
| 7.5553 | 0.49346 | standard |
| 7.68655 | 0.98275 | standard |
| 7.6895 | 0.946146 | standard |
| 6.19192 | 1.00082 | standard |
| 6.19406 | 1.00082 | standard |
| 6.41311 | 1.00082 | standard |
| 6.41524 | 1.00082 | standard |
| 6.8864 | 0.914384 | standard |
| 6.89711 | 0.914384 | standard |
| 7.54134 | 0.487396 | standard |
| 7.54409 | 0.48979 | standard |
| 7.55205 | 0.480945 | standard |
| 7.55481 | 0.496396 | standard |
| 7.68665 | 0.977038 | standard |
| 7.6894 | 0.959178 | standard |
| 6.19212 | 1.00096 | standard |
| 6.19396 | 1.00096 | standard |
| 6.4132 | 0.992439 | standard |
| 6.41515 | 0.992438 | standard |
| 6.887 | 0.910099 | standard |
| 6.89652 | 0.910099 | standard |
| 7.54203 | 0.482815 | standard |
| 7.54459 | 0.485359 | standard |
| 7.55155 | 0.485358 | standard |
| 7.55411 | 0.482817 | standard |
| 7.68674 | 0.958955 | standard |
| 7.6893 | 0.958954 | standard |
| 6.19211 | 0.991997 | standard |
| 6.19396 | 0.991997 | standard |
| 6.4133 | 1.00097 | standard |
| 6.41505 | 1.00097 | standard |
| 6.88729 | 0.910094 | standard |
| 6.89632 | 0.910094 | standard |
| 7.54243 | 0.484225 | standard |
| 7.54479 | 0.486768 | standard |
| 7.55135 | 0.486766 | standard |
| 7.55372 | 0.484226 | standard |
| 7.68684 | 0.961619 | standard |
| 7.68921 | 0.961618 | standard |
| 6.19221 | 1.001 | standard |
| 6.19386 | 1.001 | standard |
| 6.4133 | 0.99146 | standard |
| 6.41505 | 0.99146 | standard |
| 6.88749 | 0.909236 | standard |
| 6.89602 | 0.909236 | standard |
| 7.54263 | 0.4832 | standard |
| 7.54489 | 0.485651 | standard |
| 7.55126 | 0.487993 | standard |
| 7.55342 | 0.48564 | standard |
| 7.68694 | 0.964539 | standard |
| 7.68911 | 0.964538 | standard |
| 6.19221 | 1.00084 | standard |
| 6.19377 | 1.00084 | standard |
| 6.4134 | 1.00084 | standard |
| 6.41495 | 1.00084 | standard |
| 6.88789 | 0.914498 | standard |
| 6.89562 | 0.914497 | standard |
| 7.54312 | 0.485764 | standard |
| 7.54519 | 0.488254 | standard |
| 7.55096 | 0.49083 | standard |
| 7.55292 | 0.488448 | standard |
| 7.68704 | 0.970097 | standard |
| 7.68901 | 0.970096 | standard |
| 6.19241 | 1.00106 | standard |
| 6.19367 | 1.00106 | standard |
| 6.41349 | 0.988743 | standard |
| 6.41486 | 0.988743 | standard |
| 6.88848 | 0.908221 | standard |
| 6.89513 | 0.908221 | standard |
| 7.54391 | 0.484896 | standard |
| 7.54559 | 0.487272 | standard |
| 7.55046 | 0.484321 | standard |
| 7.55223 | 0.48182 | standard |
| 7.68714 | 0.957033 | standard |
| 7.68891 | 0.957033 | standard |