![2-([2-(Butane-1-sulfonyl)ethyl]sulfanyl)ethanol](/api/spectrum/51VNQh8D3w7/structure.png?h=300&w=458 "2-([2-(Butane-1-sulfonyl)ethyl]sulfanyl)ethanol")
| SpectraBase Compound ID | 7BkiEQd19HS |
|---|---|
| InChI | InChI=1S/C8H18O3S2/c1-2-3-7-13(10,11)8-6-12-5-4-9/h9H,2-8H2,1H3 |
| InChIKey | GZQKZBLBTOBOIN-UHFFFAOYSA-N |
| Mol Weight | 226.35 g/mol |
| Molecular Formula | C8H18O3S2 |
| Exact Mass | 226.069737 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 51VNQh8D3w7 |
|---|---|
| Name | 2-([2-(Butane-1-sulfonyl)ethyl]sulfanyl)ethanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.069736785 u |
| Formula | C8H18O3S2 |
| InChI | InChI=1S/C8H18O3S2/c1-2-3-7-13(10,11)8-6-12-5-4-9/h9H,2-8H2,1H3 |
| InChIKey | GZQKZBLBTOBOIN-UHFFFAOYSA-N |
| Molecular Weight | 226.349 g/mol |
| SMILES | C(SCCS(CCCC)(=O)=O)CO |