3,5-Dichloroaniline
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02156 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2 | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 3,5-Dichloroaniline | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 10 | 11 | 12 | |
|---|---|---|---|
| 10 | 6.874 | 0.95 | 0.95 |
| 11 | 0 | 6.766 | 1.5 |
| 12 | 0 | 0 | 6.766 |
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 |
|---|---|---|
| 6.76586 | 1.00006 | standard |
| 6.8737 | 0.467721 | standard |
| 6.77125 | 1.0 | standard |
| 6.86768 | 0.502287 | standard |
| 6.7687 | 1.0 | standard |
| 6.87248 | 0.481722 | standard |
| 6.76759 | 1.0 | standard |
| 6.8732 | 0.474611 | standard |
| 6.76726 | 1.0 | standard |
| 6.87332 | 0.473025 | standard |
| 6.767 | 1.0 | standard |
| 6.87339 | 0.472141 | standard |
| 6.76622 | 1.00001 | standard |
| 6.87365 | 0.46859 | standard |
| 6.76601 | 1.00001 | standard |
| 6.8737 | 0.467825 | standard |
| 6.76594 | 1.00008 | standard |
| 6.87367 | 0.467879 | standard |
| 6.76587 | 1.00002 | standard |
| 6.8737 | 0.467577 | standard |
| 6.76586 | 1.00006 | standard |
| 6.8737 | 0.467721 | standard |
| 6.76584 | 1.00033 | standard |
| 6.8737 | 0.455973 | standard |
| 6.76584 | 1.00028 | standard |
| 6.8737 | 0.468127 | standard |
| 6.76589 | 1.0 | standard |
| 6.8737 | 0.467646 | standard |
| 6.76584 | 1.00038 | standard |
| 6.8737 | 0.468502 | standard |
| 6.76589 | 1.0 | standard |
| 6.8737 | 0.467409 | standard |
| 6.76584 | 1.00071 | standard |
| 6.8737 | 0.451332 | standard |
| 6.76584 | 1.00118 | standard |
| 6.8737 | 0.467318 | standard |