1-4-Cyclohexanedione
Simulation outputs:
Parameter | Value | |
Field strength | 499.84(MHz) | |
RMSD of the fit | 0.01027 | |
Temperature | 298 K | |
pH | 7.4 | |
InChI | InChI=1S/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H2 | |
Note 1 | lineshape? |
Sample description:
Compound | Type | Concentration |
---|---|---|
1,4-cyclohexanedione | Solute | Saturated1 |
CDCl3 | Solvent | 100% |
TMS | Reference | 0.5% |
Spin System Matrix
9 | 10 | 11 | 12 | 13 | 14 | 15 | 16 | |
---|---|---|---|---|---|---|---|---|
9 | 2.718 | -14.0 | 5.8 | 5.8 | 0 | 0 | 0 | 0 |
10 | 0 | 2.718 | 5.8 | 5.8 | 0 | 0 | 0 | 0 |
11 | 0 | 0 | 2.718 | -14.0 | 0 | 0 | 0 | 0 |
12 | 0 | 0 | 0 | 2.718 | 0 | 0 | 0 | 0 |
13 | 0 | 0 | 0 | 0 | 2.718 | -14.0 | 5.8 | 5.8 |
14 | 0 | 0 | 0 | 0 | 0 | 2.718 | 5.8 | 5.8 |
15 | 0 | 0 | 0 | 0 | 0 | 0 | 2.718 | -14.0 |
16 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2.718 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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PPM | Amplitude | Peak Type |
---|---|---|
2.71819 | 1.0 | standard |
2.71819 | 1.0 | standard |
2.71819 | 1.0 | standard |
2.71819 | 1.0 | standard |
2.71819 | 1.0 | standard |
2.71819 | 1.0 | standard |
2.71819 | 1.0 | standard |
2.71819 | 1.0 | standard |
2.71819 | 1.0 | standard |
2.71819 | 1.0 | standard |
2.71819 | 1.0 | standard |
2.71819 | 1.0 | standard |
2.71819 | 1.0 | standard |
2.71819 | 1.0 | standard |
2.71819 | 1.0 | standard |
2.71819 | 1.0 | standard |
2.71819 | 1.0 | standard |
2.71819 | 1.0 | standard |
2.71819 | 1.0 | standard |