| SpectraBase Compound ID | IxbnFa3yW9c |
|---|---|
| InChI | InChI=1S/C13H28O3S/c1-4-6-7-8-9-10-12-15-17(14)16-13(3)11-5-2/h13H,4-12H2,1-3H3 |
| InChIKey | BNXBRSVVGVEWKZ-UHFFFAOYSA-N |
| Mol Weight | 264.42 g/mol |
| Molecular Formula | C13H28O3S |
| Exact Mass | 264.175916 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HgKpivhdPCm |
|---|---|
| Name | Sulfurous acid, octyl 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.175915933 u |
| Formula | C13H28O3S |
| InChI | InChI=1S/C13H28O3S/c1-4-6-7-8-9-10-12-15-17(14)16-13(3)11-5-2/h13H,4-12H2,1-3H3 |
| InChIKey | BNXBRSVVGVEWKZ-UHFFFAOYSA-N |
| Molecular Weight | 264.424 g/mol |
| SMILES | C(CCCCCCOS(OC(C)CCC)=O)C |