| SpectraBase Compound ID | GZSAiPrHkmV |
|---|---|
| InChI | InChI=1S/C10H16O2S2/c11-6-3-1-2-5-9-10(12)14-8-4-7-13-9/h6,9H,1-5,7-8H2 |
| InChIKey | IAGZRQIZEFRFLK-UHFFFAOYSA-N |
| Mol Weight | 232.36 g/mol |
| Molecular Formula | C10H16O2S2 |
| Exact Mass | 232.059172 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5gIOOzTPPbG |
|---|---|
| Name | 1,4-Dithiepane-2-pentanal, 3-oxo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.059172101 u |
| Formula | C10H16O2S2 |
| InChI | InChI=1S/C10H16O2S2/c11-6-3-1-2-5-9-10(12)14-8-4-7-13-9/h6,9H,1-5,7-8H2 |
| InChIKey | IAGZRQIZEFRFLK-UHFFFAOYSA-N |
| Molecular Weight | 232.356 g/mol |
| SMILES | C1(SCCCSC1CCCCC=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.834448 |