Syringic-acid
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.00958 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12) | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| syringic acid | Solute | Saturated1 |
| DMSO | Solvent | 100% |
| TMS | Reference | 0.01% |
Spin System Matrix
| 15 | 16 | 17 | 21 | 22 | 18 | 19 | 20 | |
|---|---|---|---|---|---|---|---|---|
| 15 | 3.808 | -11.5 | -11.5 | 0 | 0 | 0 | 0 | 0 |
| 16 | 0 | 3.808 | -11.5 | 0 | 0 | 0 | 0 | 0 |
| 17 | 0 | 0 | 3.808 | 0 | 0 | 0 | 0 | 0 |
| 21 | 0 | 0 | 0 | 7.211 | 2.0 | 0 | 0 | 0 |
| 22 | 0 | 0 | 0 | 0 | 7.211 | 0 | 0 | 0 |
| 18 | 0 | 0 | 0 | 0 | 0 | 3.808 | -11.5 | -11.5 |
| 19 | 0 | 0 | 0 | 0 | 0 | 0 | 3.808 | -11.5 |
| 20 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.808 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 3.80805 | 1.0 | standard |
| 7.21094 | 0.332694 | standard |
| 3.80805 | 1.0 | standard |
| 7.21094 | 0.332891 | standard |
| 3.80805 | 1.0 | standard |
| 7.21094 | 0.33295 | standard |
| 3.80805 | 1.0 | standard |
| 7.21094 | 0.332752 | standard |
| 3.80805 | 1.0 | standard |
| 7.21094 | 0.333347 | standard |
| 3.80805 | 1.0 | standard |
| 7.21094 | 0.333094 | standard |
| 3.80805 | 1.0 | standard |
| 7.21094 | 0.33297 | standard |
| 3.80805 | 1.0 | standard |
| 7.21094 | 0.333241 | standard |
| 3.80805 | 1.0 | standard |
| 7.21094 | 0.332724 | standard |
| 3.80805 | 1.0 | standard |
| 7.21094 | 0.332966 | standard |
| 3.80805 | 1.0 | standard |
| 7.21094 | 0.332602 | standard |
| 3.80805 | 1.0 | standard |
| 7.21094 | 0.333048 | standard |
| 3.80805 | 1.0 | standard |
| 7.21094 | 0.332486 | standard |
| 3.80805 | 1.0 | standard |
| 7.21094 | 0.332306 | standard |
| 3.80805 | 1.0 | standard |
| 7.21094 | 0.333029 | standard |
| 3.80805 | 1.0 | standard |
| 7.21094 | 0.332862 | standard |
| 3.80805 | 1.0 | standard |
| 7.21094 | 0.332961 | standard |
| 3.80805 | 1.0 | standard |
| 7.21094 | 0.332957 | standard |
| 3.80805 | 1.0 | standard |
| 7.21094 | 0.333041 | standard |