| SpectraBase Compound ID | DlbpCdFoZ51 |
|---|---|
| InChI | InChI=1S/C7H16S2/c1-3-4-5-6-7-9-8-2/h3-7H2,1-2H3 |
| InChIKey | WZUAZKYWEVGSEC-UHFFFAOYSA-N |
| Mol Weight | 164.32 g/mol |
| Molecular Formula | C7H16S2 |
| Exact Mass | 164.069343 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BX4pqi4eQRI |
|---|---|
| Name | Methyl N-hexyl disulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.069342863 u |
| Formula | C7H16S2 |
| InChI | InChI=1S/C7H16S2/c1-3-4-5-6-7-9-8-2/h3-7H2,1-2H3 |
| InChIKey | WZUAZKYWEVGSEC-UHFFFAOYSA-N |
| Molecular Weight | 164.325 g/mol |
| SMILES | CCCCCCSSC |