4-Amino-2-chloro-5-fluoropyrimidine
Simulation outputs:
|
Parameter | Value | |||
| Field strength | 600.01(MHz) | ||||
| RMSD of the fit | 0.03834 | ||||
| Temperature | 298 K | ||||
| pH | 7.4 | ||||
| InChI | InChI=1S/C4H3ClFN3/c5-4-8-1-2(6)3(7)9-4/h1H,(H2,7,8,9) | ||||
| Note 1 | None | ||||
| Additional coupling constants |
|
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 4-Amino-2-chloro-5-fluoropyrimidine | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 10 | |
|---|---|
| 10 | 7.98 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.97704 | 1.00006 | standard |
| 7.98242 | 1.00006 | standard |
| 7.93935 | 1.0 | standard |
| 8.02011 | 1.0 | standard |
| 7.95281 | 1.00001 | standard |
| 8.00665 | 1.00001 | standard |
| 7.95954 | 1.00001 | standard |
| 7.99992 | 1.00001 | standard |
| 7.96178 | 1.0 | standard |
| 7.99768 | 1.0 | standard |
| 7.96358 | 1.0 | standard |
| 7.99588 | 1.0 | standard |
| 7.97165 | 1.00006 | standard |
| 7.98781 | 1.00006 | standard |
| 7.97435 | 1.00006 | standard |
| 7.98512 | 1.00006 | standard |
| 7.97569 | 1.00012 | standard |
| 7.98377 | 1.00012 | standard |
| 7.9765 | 1.00041 | standard |
| 7.98296 | 1.00041 | standard |
| 7.97704 | 1.00006 | standard |
| 7.98242 | 1.00006 | standard |
| 7.97742 | 1.00029 | standard |
| 7.98204 | 1.00029 | standard |
| 7.97758 | 1.00041 | standard |
| 7.98188 | 1.00041 | standard |
| 7.97771 | 1.00069 | standard |
| 7.98175 | 1.00069 | standard |
| 7.97794 | 1.00006 | standard |
| 7.98153 | 1.00006 | standard |
| 7.97803 | 1.00015 | standard |
| 7.98143 | 1.00015 | standard |
| 7.97812 | 1.00067 | standard |
| 7.98135 | 1.00067 | standard |
| 7.97849 | 1.00331 | standard |
| 7.98097 | 1.00331 | standard |