3-Chloro-5-(trifluoromethyl)benzene-1,2-diamine
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.04049 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C7H6ClF3N2/c8-4-1-3(7(9,10)11)2-5(12)6(4)13/h1-2H,12-13H2 | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 3-Chloro-5-(trifluoromethyl)benzene-1,2-diamine | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 14 | 15 | |
|---|---|---|
| 14 | 7.249 | 0.79 |
| 15 | 0 | 7.044 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.04411 | 0.979992 | standard |
| 7.24878 | 1.00037 | standard |
| 7.04578 | 1.0 | standard |
| 7.24716 | 1.0 | standard |
| 7.04482 | 1.0 | standard |
| 7.24804 | 0.998021 | standard |
| 7.04454 | 1.0 | standard |
| 7.2484 | 1.0 | standard |
| 7.04441 | 1.0 | standard |
| 7.24846 | 0.996988 | standard |
| 7.04434 | 0.996653 | standard |
| 7.24855 | 1.0 | standard |
| 7.04411 | 1.0 | standard |
| 7.24883 | 1.0 | standard |
| 7.04411 | 1.0 | standard |
| 7.24878 | 0.989902 | standard |
| 7.04411 | 1.0 | standard |
| 7.24883 | 1.0 | standard |
| 7.04411 | 1.0 | standard |
| 7.24883 | 1.0 | standard |
| 7.04411 | 0.979993 | standard |
| 7.24878 | 1.00037 | standard |
| 7.04411 | 0.976887 | standard |
| 7.24878 | 1.00052 | standard |
| 7.04411 | 1.0 | standard |
| 7.24878 | 0.97512 | standard |
| 7.04411 | 1.0 | standard |
| 7.24883 | 1.0 | standard |
| 7.04411 | 1.0 | standard |
| 7.24878 | 0.970848 | standard |
| 7.04411 | 1.0 | standard |
| 7.24878 | 0.968031 | standard |
| 7.04411 | 1.0 | standard |
| 7.24883 | 1.0 | standard |
| 7.04411 | 1.0 | standard |
| 7.24883 | 1.0 | standard |