Acetic-acid
Simulation outputs:
Parameter | Value | |
Field strength | 400.13(MHz) | |
RMSD of the fit | 0.00796 | |
Temperature | 298 K | |
pH | 7.4 | |
InChI | InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4) | |
pKa | 4.756 | |
Note 1 | None |
Sample description:
Compound | Type | Concentration |
---|---|---|
Acetate | Solute | 100mM |
D2O | Solvent | 100% |
sodium phosphate | Buffer | 50mM |
sodium azide | Cytocide | 500uM |
DSS | Reference | 500uM |
Spin System Matrix
5 | 6 | 7 | |
---|---|---|---|
5 | 1.905 | -14.9 | -14.9 |
6 | 0 | 1.905 | -14.9 |
7 | 0 | 0 | 1.905 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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PPM | Amplitude | Peak Type |
---|---|---|
1.90497 | 1.0 | standard |
1.90497 | 1.0 | standard |
1.90497 | 1.0 | standard |
1.90497 | 1.0 | standard |
1.90497 | 1.0 | standard |
1.90497 | 1.0 | standard |
1.90497 | 1.0 | standard |
1.90497 | 1.0 | standard |
1.90497 | 1.0 | standard |
1.90497 | 1.0 | standard |
1.90497 | 1.0 | standard |
1.90497 | 1.0 | standard |
1.90497 | 1.0 | standard |
1.90497 | 1.0 | standard |
1.90497 | 1.0 | standard |
1.90497 | 1.0 | standard |
1.90497 | 1.0 | standard |
1.90497 | 1.0 | standard |
1.90497 | 1.0 | standard |