| SpectraBase Compound ID | 1u8tyAwbtaS |
|---|---|
| InChI | InChI=1S/C14H30O3S/c1-3-5-7-9-10-12-14-17-18(15)16-13-11-8-6-4-2/h3-14H2,1-2H3 |
| InChIKey | PEKJAKSJHKAMFP-UHFFFAOYSA-N |
| Mol Weight | 278.45 g/mol |
| Molecular Formula | C14H30O3S |
| Exact Mass | 278.191566 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 66hpaNTQoT9 |
|---|---|
| Name | Sulfurous acid, hexyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.191565997 u |
| Formula | C14H30O3S |
| InChI | InChI=1S/C14H30O3S/c1-3-5-7-9-10-12-14-17-18(15)16-13-11-8-6-4-2/h3-14H2,1-2H3 |
| InChIKey | PEKJAKSJHKAMFP-UHFFFAOYSA-N |
| Molecular Weight | 278.451 g/mol |
| SMILES | C(CCOS(OCCCCCCCC)=O)CCC |