| SpectraBase Compound ID | AreDHqysNSX |
|---|---|
| InChI | InChI=1S/C8H12O2S2/c9-4-1-3-7-8(10)12-6-2-5-11-7/h4,7H,1-3,5-6H2 |
| InChIKey | JHJFRZAJKLZPQZ-UHFFFAOYSA-N |
| Mol Weight | 204.3 g/mol |
| Molecular Formula | C8H12O2S2 |
| Exact Mass | 204.027872 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KJMMvgz4c5X |
|---|---|
| Name | 3-(3-oxo[1,4]Dithiepan-2-yl)propionaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.027871972 u |
| Formula | C8H12O2S2 |
| InChI | InChI=1S/C8H12O2S2/c9-4-1-3-7-8(10)12-6-2-5-11-7/h4,7H,1-3,5-6H2 |
| InChIKey | JHJFRZAJKLZPQZ-UHFFFAOYSA-N |
| Molecular Weight | 204.302 g/mol |
| SMILES | C1(=O)C(CCC=O)SCCCS1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965873 |