| SpectraBase Compound ID | 2geE1xXN9hI |
|---|---|
| InChI | InChI=1S/C10H22O3S/c1-4-6-7-9-12-14(11)13-10(3)8-5-2/h10H,4-9H2,1-3H3 |
| InChIKey | AWHGAVYQGWDWJW-UHFFFAOYSA-N |
| Mol Weight | 222.34 g/mol |
| Molecular Formula | C10H22O3S |
| Exact Mass | 222.128966 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H4P84vkILcU |
|---|---|
| Name | Sulfurous acid, 2-pentyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.128965739 u |
| Formula | C10H22O3S |
| InChI | InChI=1S/C10H22O3S/c1-4-6-7-9-12-14(11)13-10(3)8-5-2/h10H,4-9H2,1-3H3 |
| InChIKey | AWHGAVYQGWDWJW-UHFFFAOYSA-N |
| Molecular Weight | 222.343 g/mol |
| SMILES | C(OS(=O)OCCCCC)(CCC)C |