| SpectraBase Compound ID | IQPUYKFDIKs |
|---|---|
| InChI | InChI=1S/C9H20O3S/c1-3-5-7-9-12-13(10)11-8-6-4-2/h3-9H2,1-2H3 |
| InChIKey | DHSCAVJRDJAURV-UHFFFAOYSA-N |
| Mol Weight | 208.32 g/mol |
| Molecular Formula | C9H20O3S |
| Exact Mass | 208.113316 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4TPqi61GSbL |
|---|---|
| Name | Sulfurous acid, butyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.113315675 u |
| Formula | C9H20O3S |
| InChI | InChI=1S/C9H20O3S/c1-3-5-7-9-12-13(10)11-8-6-4-2/h3-9H2,1-2H3 |
| InChIKey | DHSCAVJRDJAURV-UHFFFAOYSA-N |
| Molecular Weight | 208.316 g/mol |
| SMILES | CCCCCOS(OCCCC)=O |