| SpectraBase Compound ID | 5kbLkOrcRkC |
|---|---|
| InChI | InChI=1S/C19H40S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21-4)18(2)20-3/h18-19H,5-17H2,1-4H3 |
| InChIKey | DKIZSLOLEVLRJD-UHFFFAOYSA-N |
| Mol Weight | 332.6 g/mol |
| Molecular Formula | C19H40S2 |
| Exact Mass | 332.257144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F2A8smoBAJS |
|---|---|
| Name | 2,3-bis(Methylthio)heptadecane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.257143636 u |
| Formula | C19H40S2 |
| InChI | InChI=1S/C19H40S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21-4)18(2)20-3/h18-19H,5-17H2,1-4H3 |
| InChIKey | DKIZSLOLEVLRJD-UHFFFAOYSA-N |
| SMILES | C(CCCCCCCCCCCC(C(SC)C)SC)CC |