| SpectraBase Compound ID | EMgl8Q7zuU1 |
|---|---|
| InChI | InChI=1S/C21H44S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23-4)20(2)22-3/h20-21H,5-19H2,1-4H3 |
| InChIKey | WIIDMZPQXCYTBE-UHFFFAOYSA-N |
| Mol Weight | 360.7 g/mol |
| Molecular Formula | C21H44S2 |
| Exact Mass | 360.288444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FCoBvUPWYfW |
|---|---|
| Name | 2,3-bis(Methylthio)nonadecane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.288443765 u |
| Formula | C21H44S2 |
| InChI | InChI=1S/C21H44S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23-4)20(2)22-3/h20-21H,5-19H2,1-4H3 |
| InChIKey | WIIDMZPQXCYTBE-UHFFFAOYSA-N |
| SMILES | C(CCCCCCCCCCCCCC(C(SC)C)SC)CC |