2,6-Dichloro-5-fluoro-3-pyridinecarbonitrile
Simulation outputs:
|
Parameter | Value | |||
| Field strength | 600.01(MHz) | ||||
| RMSD of the fit | 0.02254 | ||||
| Temperature | 298 K | ||||
| pH | 7.4 | ||||
| InChI | InChI=1S/C6HCl2FN2/c7-5-3(2-10)1-4(9)6(8)11-5/h1H | ||||
| Note 1 | None | ||||
| Additional coupling constants |
|
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 2,6-Dichloro-5-fluoro-3-pyridinecarbonitrile | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 12 | |
|---|---|
| 12 | 8.252 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 8.24557 | 1.00009 | standard |
| 8.25744 | 1.00009 | standard |
| 8.16247 | 1.0 | standard |
| 8.34054 | 1.0 | standard |
| 8.19215 | 1.00001 | standard |
| 8.31086 | 1.00001 | standard |
| 8.20698 | 1.0 | standard |
| 8.29602 | 1.0 | standard |
| 8.21193 | 1.0 | standard |
| 8.29107 | 1.0 | standard |
| 8.21589 | 1.0 | standard |
| 8.28712 | 1.0 | standard |
| 8.23369 | 1.00009 | standard |
| 8.26931 | 1.00009 | standard |
| 8.23963 | 1.00009 | standard |
| 8.26337 | 1.00009 | standard |
| 8.2426 | 1.00009 | standard |
| 8.26041 | 1.00009 | standard |
| 8.24438 | 1.00008 | standard |
| 8.25862 | 1.00008 | standard |
| 8.24557 | 1.00008 | standard |
| 8.25744 | 1.00008 | standard |
| 8.24641 | 1.0004 | standard |
| 8.25659 | 1.0004 | standard |
| 8.24675 | 1.00008 | standard |
| 8.25625 | 1.00008 | standard |
| 8.24705 | 1.00008 | standard |
| 8.25595 | 1.00008 | standard |
| 8.24754 | 1.00008 | standard |
| 8.25546 | 1.00008 | standard |
| 8.24775 | 1.00036 | standard |
| 8.25525 | 1.00036 | standard |
| 8.24794 | 1.00008 | standard |
| 8.25506 | 1.00008 | standard |
| 8.24876 | 1.00226 | standard |
| 8.25424 | 1.00226 | standard |