| SpectraBase Compound ID | 3ga3beOsobG |
|---|---|
| InChI | InChI=1S/C12H18O4S/c1-3-7-15-11(13)5-9-17-10-6-12(14)16-8-4-2/h3-4H,1-2,5-10H2 |
| InChIKey | KUNAOSOKOQEGNB-UHFFFAOYSA-N |
| Mol Weight | 258.33 g/mol |
| Molecular Formula | C12H18O4S |
| Exact Mass | 258.09258 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 73J8PksARXU |
|---|---|
| Name | Diallyl 3,3'-thiodipropanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.092580230 u |
| Formula | C12H18O4S |
| InChI | InChI=1S/C12H18O4S/c1-3-7-15-11(13)5-9-17-10-6-12(14)16-8-4-2/h3-4H,1-2,5-10H2 |
| InChIKey | KUNAOSOKOQEGNB-UHFFFAOYSA-N |
| Molecular Weight | 258.332 g/mol |
| SMILES | C(SCCC(=O)OCC=C)CC(=O)OCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98001 |