| SpectraBase Compound ID | 3UOYMuqYQ2e |
|---|---|
| InChI | InChI=1S/C8H16O2S/c1-3-5-7-8(6-4-2)11(7,9)10/h7-8H,3-6H2,1-2H3 |
| InChIKey | RDQZNPVOKODBCD-UHFFFAOYSA-N |
| Mol Weight | 176.27 g/mol |
| Molecular Formula | C8H16O2S |
| Exact Mass | 176.087101 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FseWLRztpmV |
|---|---|
| Name | 2,3-Dipropylthiirane 1,1-dioxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.087100927 u |
| Formula | C8H16O2S |
| InChI | InChI=1S/C8H16O2S/c1-3-5-7-8(6-4-2)11(7,9)10/h7-8H,3-6H2,1-2H3 |
| InChIKey | RDQZNPVOKODBCD-UHFFFAOYSA-N |
| Molecular Weight | 176.274 g/mol |
| SMILES | C1(S(C1CCC)(=O)=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938807 |