| SpectraBase Compound ID | 3DOTzIgZFJ |
|---|---|
| InChI | InChI=1S/C9H18O4S/c1-3-5-7-14(11,12)8-6-9(10)13-4-2/h3-8H2,1-2H3 |
| InChIKey | BBUVZQDJKSULNZ-UHFFFAOYSA-N |
| Mol Weight | 222.3 g/mol |
| Molecular Formula | C9H18O4S |
| Exact Mass | 222.09258 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IGf06drXHOw |
|---|---|
| Name | Ethyl 3-(butane-1-sulfonyl)propanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.092580230 u |
| Formula | C9H18O4S |
| InChI | InChI=1S/C9H18O4S/c1-3-5-7-14(11,12)8-6-9(10)13-4-2/h3-8H2,1-2H3 |
| InChIKey | BBUVZQDJKSULNZ-UHFFFAOYSA-N |
| Molecular Weight | 222.299 g/mol |
| SMILES | C(CCC)S(CCC(OCC)=O)(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.83146 |