2-Amino-6-chloropurine
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.02650 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11) | |
| Note 1 | peak at 6.78 may be N-H (DMSO solvent) |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 2-Amino-6-chloropurine | Solute | 100mM |
| DMSO | Solvent | 100% |
| TMS | Reference | 0.05mM |
Spin System Matrix
| 12 | |
|---|---|
| 12 | 8.113 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 8.11264 | 1.0 | standard |
| -0.999459 | 2.0125e-05 | standard |
| 8.11264 | 1.0 | standard |
| -0.980316 | 9.125e-06 | standard |
| 8.11264 | 1.0 | standard |
| -0.921002 | 5.125e-06 | standard |
| 8.11264 | 1.0 | standard |
| -0.905728 | 4.125e-06 | standard |
| 8.11264 | 1.0 | standard |
| -0.785018 | 3.125e-06 | standard |
| 8.11264 | 1.0 | standard |
| -0.578512 | 1.125e-06 | standard |
| 8.11264 | 1.0 | standard |
| 8.11264 | 1.0 | standard |
| 8.11264 | 1.0 | standard |
| 8.11264 | 1.0 | standard |
| 8.11264 | 1.0 | standard |
| 8.11264 | 1.0 | standard |
| 8.11264 | 1.0 | standard |
| 8.11264 | 1.0 | standard |
| 8.11264 | 1.0 | standard |
| 8.11264 | 1.0 | standard |
| 8.11264 | 1.0 | standard |
| 8.11264 | 1.0 | standard |
| 8.11264 | 1.0 | standard |