| SpectraBase Compound ID | F6i9HtjSFUW |
|---|---|
| InChI | InChI=1S/C10H22O3S/c1-3-5-7-8-10-13-14(11)12-9-6-4-2/h3-10H2,1-2H3 |
| InChIKey | GUQZPBBRYGCRRR-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 | 8gOLVDqlVt7 |
|---|---|
| Name | Sulfurous acid, butyl hexyl 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/c1-3-5-7-8-10-13-14(11)12-9-6-4-2/h3-10H2,1-2H3 |
| InChIKey | GUQZPBBRYGCRRR-UHFFFAOYSA-N |
| Molecular Weight | 222.343 g/mol |
| SMILES | C(COS(=O)OCCCC)CCCC |