| SpectraBase Compound ID | CbiM4tnHbIs |
|---|---|
| InChI | InChI=1S/C8H12OS2/c9-5-2-1-4-8-10-6-3-7-11-8/h4-5H,1-3,6-7H2 |
| InChIKey | SBDNKPQZZQOXFP-UHFFFAOYSA-N |
| Mol Weight | 188.3 g/mol |
| Molecular Formula | C8H12OS2 |
| Exact Mass | 188.032957 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5rOne0LNvnQ |
|---|---|
| Name | Butanal, 4-(1,3-dithian-2-ylidene)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.032957353 u |
| Formula | C8H12OS2 |
| InChI | InChI=1S/C8H12OS2/c9-5-2-1-4-8-10-6-3-7-11-8/h4-5H,1-3,6-7H2 |
| InChIKey | SBDNKPQZZQOXFP-UHFFFAOYSA-N |
| Molecular Weight | 188.303 g/mol |
| SMILES | C1SC(SCC1)=CCCC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.866408 |