| SpectraBase Compound ID | 9WSFcI7fZr8 |
|---|---|
| InChI | InChI=1S/C20H42S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22-4)19(2)21-3/h19-20H,5-18H2,1-4H3 |
| InChIKey | OCBGVWDJJHZAOG-UHFFFAOYSA-N |
| Mol Weight | 346.7 g/mol |
| Molecular Formula | C20H42S2 |
| Exact Mass | 346.272794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ewq7MR0VT8Q |
|---|---|
| Name | 2,3-bis(Methylthio)octadecane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.272793700 u |
| Formula | C20H42S2 |
| InChI | InChI=1S/C20H42S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22-4)19(2)21-3/h19-20H,5-18H2,1-4H3 |
| InChIKey | OCBGVWDJJHZAOG-UHFFFAOYSA-N |
| SMILES | C(CCCCCCCCCCCCC(C(SC)C)SC)CC |