| SpectraBase Compound ID | 8aewVxEWLQj |
|---|---|
| InChI | InChI=1S/C5H8O2S/c6-5-4-8-3-1-2-7-5/h1-4H2 |
| InChIKey | CSSVOBUKNBNQHX-UHFFFAOYSA-N |
| Mol Weight | 132.18 g/mol |
| Molecular Formula | C5H8O2S |
| Exact Mass | 132.024501 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FovTI5jmUyg |
|---|---|
| Name | 1,4-Oxathiepan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.024500670 u |
| Formula | C5H8O2S |
| InChI | InChI=1S/C5H8O2S/c6-5-4-8-3-1-2-7-5/h1-4H2 |
| InChIKey | CSSVOBUKNBNQHX-UHFFFAOYSA-N |
| SMILES | C1(OCCCSC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.988894 |