| SpectraBase Compound ID | 8nUY7cu521A |
|---|---|
| InChI | InChI=1S/C7H14S2/c1-4-6-8-9-7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+ |
| InChIKey | IOVUOUZQSDBAQN-GQCTYLIASA-N |
| Mol Weight | 162.31 g/mol |
| Molecular Formula | C7H14S2 |
| Exact Mass | 162.053693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4YFzqGxcJEc |
|---|---|
| Name | (E)-sec-Butyl propenyl disulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.053692799 u |
| Formula | C7H14S2 |
| InChI | InChI=1S/C7H14S2/c1-4-6-8-9-7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+ |
| InChIKey | IOVUOUZQSDBAQN-GQCTYLIASA-N |
| Molecular Weight | 162.309 g/mol |
| SMILES | C(SS\C=C\C)(CC)C |