Methylsulfanyldisulfanylmethane
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.00438 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3 | |
| Note 1 | Oscar Li |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| methylsulfanyldisulfanylmethane | solute | 100mM |
| Chloroform-d | solvent | 100.0% |
| TMS | reference | 0.05% |
Spin System Matrix
| 6 | 7 | 8 | 9 | 10 | 11 | |
|---|---|---|---|---|---|---|
| 6 | 2.568 | 0 | -12.4 | 0 | 0 | 0 |
| 7 | 0 | 2.568 | 0 | 0 | 0 | 0 |
| 8 | 0 | 0 | 2.568 | 0 | 0 | 0 |
| 9 | 0 | 0 | 0 | 2.568 | 0 | 0 |
| 10 | 0 | 0 | 0 | 0 | 2.568 | -12.4 |
| 11 | 0 | 0 | 0 | 0 | 0 | 2.568 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.56803 | 1.0 | standard |
| 2.56803 | 1.0 | standard |
| 2.56803 | 1.0 | standard |
| 2.56803 | 1.0 | standard |
| 2.56803 | 1.0 | standard |
| 2.56803 | 1.0 | standard |
| 2.56803 | 1.0 | standard |
| 2.56803 | 1.0 | standard |
| 2.56803 | 1.0 | standard |
| 2.56803 | 1.0 | standard |
| 2.56803 | 1.0 | standard |
| 2.56803 | 1.0 | standard |
| 2.56803 | 1.0 | standard |
| 2.56803 | 1.0 | standard |
| 2.56803 | 1.0 | standard |
| 2.56803 | 1.0 | standard |
| 2.56803 | 1.0 | standard |
| 2.56803 | 1.0 | standard |
| 2.56803 | 1.0 | standard |