| SpectraBase Compound ID | BSXyfC4zU8R |
|---|---|
| InChI | InChI=1S/C11H24O3S/c1-4-5-6-7-8-9-10-13-15(12)14-11(2)3/h11H,4-10H2,1-3H3 |
| InChIKey | JHDQSUXMKIOTHM-UHFFFAOYSA-N |
| Mol Weight | 236.37 g/mol |
| Molecular Formula | C11H24O3S |
| Exact Mass | 236.144616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ELIKkd6kGyi |
|---|---|
| Name | Sulfurous acid, octyl 2-propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.144615804 u |
| Formula | C11H24O3S |
| InChI | InChI=1S/C11H24O3S/c1-4-5-6-7-8-9-10-13-15(12)14-11(2)3/h11H,4-10H2,1-3H3 |
| InChIKey | JHDQSUXMKIOTHM-UHFFFAOYSA-N |
| Molecular Weight | 236.370 g/mol |
| SMILES | CCCCCCCCOS(OC(C)C)=O |