3-Furoic-acid
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.01530 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C5H4O3/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7) | |
| Note 1 | 9?10 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 3-Furoic acid | Solute | 100mM |
| CDCl3 | Solvent | 100% |
| TMS | Reference | 0.05mM |
Spin System Matrix
| 9 | 10 | 11 | |
|---|---|---|---|
| 9 | 7.467 | 1.701 | 1.41 |
| 10 | 0 | 6.786 | 0 |
| 11 | 0 | 0 | 8.124 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 6.78432 | 0.926638 | standard |
| 6.78713 | 0.926638 | standard |
| 7.46738 | 0.926518 | standard |
| 8.12344 | 1.00002 | standard |
| 8.12525 | 1.00002 | standard |
| -0.998368 | 4.5125e-05 | standard |
| 6.76792 | 0.879871 | standard |
| 6.80338 | 0.941412 | standard |
| 7.46699 | 0.912161 | standard |
| 8.112 | 1.0 | standard |
| 8.13526 | 0.959338 | standard |
| -0.979225 | 2.0125e-05 | standard |
| 6.77379 | 0.896057 | standard |
| 6.79757 | 0.937521 | standard |
| 7.46722 | 0.917437 | standard |
| 8.11619 | 1.0 | standard |
| 8.13198 | 0.972508 | standard |
| -0.941732 | 1.1125e-05 | standard |
| 6.77677 | 0.902886 | standard |
| 6.79462 | 0.934038 | standard |
| 7.46729 | 0.919593 | standard |
| 8.11833 | 1.0 | standard |
| 8.13008 | 0.979511 | standard |
| -0.958991 | 9.125e-06 | standard |
| 6.77773 | 0.906617 | standard |
| 6.79364 | 0.934444 | standard |
| 7.46732 | 0.922527 | standard |
| 8.11893 | 1.00001 | standard |
| 8.12951 | 0.981565 | standard |
| -0.911976 | 7.125e-06 | standard |
| 6.77855 | 0.908146 | standard |
| 6.79289 | 0.933215 | standard |
| 7.46728 | 0.921863 | standard |
| 8.11952 | 1.0 | standard |
| 8.12901 | 0.983448 | standard |
| -0.841653 | 2.125e-06 | standard |
| 6.78214 | 0.928455 | standard |
| 6.78931 | 0.928457 | standard |
| 7.46738 | 0.928427 | standard |
| 8.12201 | 1.00003 | standard |
| 8.12677 | 1.00003 | standard |
| -0.628998 | 1.125e-06 | standard |
| 6.78331 | 0.927542 | standard |
| 6.78804 | 0.927543 | standard |
| 7.46738 | 0.927567 | standard |
| 8.12284 | 1.00001 | standard |
| 8.12595 | 1.00001 | standard |
| 6.784 | 0.941873 | standard |
| 6.78745 | 0.941873 | standard |
| 7.46738 | 0.934047 | standard |
| 8.12311 | 1.00012 | standard |
| 8.12558 | 1.00012 | standard |
| 6.78432 | 0.926661 | standard |
| 6.78713 | 0.926661 | standard |
| 7.46738 | 0.926544 | standard |
| 8.12344 | 1.00002 | standard |
| 8.12525 | 1.00002 | standard |
| 6.78458 | 0.941911 | standard |
| 6.78687 | 0.941911 | standard |
| 7.46738 | 0.930119 | standard |
| 8.12352 | 1.0001 | standard |
| 8.12517 | 1.0001 | standard |
| 6.78474 | 0.930869 | standard |
| 6.78671 | 0.930869 | standard |
| 7.46738 | 0.916539 | standard |
| 8.1237 | 1.00037 | standard |
| 8.12499 | 1.00037 | standard |
| 6.78484 | 0.943785 | standard |
| 6.78661 | 0.943785 | standard |
| 7.46738 | 0.942942 | standard |
| 8.12376 | 1.00002 | standard |
| 8.12503 | 1.00002 | standard |
| 6.7848 | 0.92655 | standard |
| 6.78666 | 0.92655 | standard |
| 7.46738 | 0.941533 | standard |
| 8.12373 | 1.00008 | standard |
| 8.12496 | 1.00008 | standard |
| 6.78487 | 0.920159 | standard |
| 6.78658 | 0.920159 | standard |
| 7.46738 | 0.936427 | standard |
| 8.1238 | 1.00079 | standard |
| 8.12489 | 1.00079 | standard |
| 6.78498 | 0.93232 | standard |
| 6.78647 | 0.93232 | standard |
| 7.46738 | 0.93219 | standard |
| 8.12389 | 1.00069 | standard |
| 8.1249 | 1.00069 | standard |
| 6.78496 | 0.909137 | standard |
| 6.7865 | 0.909137 | standard |
| 7.46738 | 0.92709 | standard |
| 8.12389 | 1.00074 | standard |
| 8.1248 | 1.00074 | standard |
| 6.78505 | 0.923881 | standard |
| 6.7864 | 0.923881 | standard |
| 7.46738 | 0.923061 | standard |
| 8.12396 | 1.00007 | standard |
| 8.12483 | 1.00007 | standard |
| 6.78513 | 0.913759 | standard |
| 6.78633 | 0.913759 | standard |
| 7.46738 | 0.910567 | standard |
| 8.12403 | 1.00016 | standard |
| 8.12476 | 1.00016 | standard |