| SpectraBase Compound ID | EgcSOBCpvoE |
|---|---|
| InChI | InChI=1S/C5H8OS2/c6-5-1-2-7-4-8-3-5/h1-4H2 |
| InChIKey | WRVMRTYRRYZPSN-UHFFFAOYSA-N |
| Mol Weight | 148.24 g/mol |
| Molecular Formula | C5H8OS2 |
| Exact Mass | 148.001657 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ACxV1Lyt9aI |
|---|---|
| Name | 1,3-Dithiepan-5-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.001657225 u |
| Formula | C5H8OS2 |
| InChI | InChI=1S/C5H8OS2/c6-5-1-2-7-4-8-3-5/h1-4H2 |
| InChIKey | WRVMRTYRRYZPSN-UHFFFAOYSA-N |
| SMILES | C1SCCC(CS1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976182 |