![4-[2'-(1',3'-Dithianyl)]hex-5-ene-1-al](/api/spectrum/32hmmcBEcoc/structure.png?h=300&w=458 "4-[2'-(1',3'-Dithianyl)]hex-5-ene-1-al")
| SpectraBase Compound ID | Gg4O65Zk9bD |
|---|---|
| InChI | InChI=1S/C9H14OS2/c1-2-8(4-3-5-10)9-11-6-7-12-9/h2,5,8-9H,1,3-4,6-7H2 |
| InChIKey | QUJGOBWWKVDYST-UHFFFAOYSA-N |
| Mol Weight | 202.33 g/mol |
| Molecular Formula | C9H14OS2 |
| Exact Mass | 202.048607 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 32hmmcBEcoc |
|---|---|
| Name | 4-[2'-(1',3'-Dithianyl)]hex-5-ene-1-al |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.048607418 u |
| Formula | C9H14OS2 |
| InChI | InChI=1S/C9H14OS2/c1-2-8(4-3-5-10)9-11-6-7-12-9/h2,5,8-9H,1,3-4,6-7H2 |
| InChIKey | QUJGOBWWKVDYST-UHFFFAOYSA-N |
| Molecular Weight | 202.330 g/mol |
| SMILES | C1(SCCS1)C(C=C)CCC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973961 |