| SpectraBase Compound ID | FUcsPC2aExC |
|---|---|
| InChI | InChI=1S/C11H18S2/c1-8(2)10(9(3)4)11-12-6-5-7-13-11/h11H,1,5-7H2,2-4H3 |
| InChIKey | HNEVXJMLUNHUES-UHFFFAOYSA-N |
| Mol Weight | 214.38 g/mol |
| Molecular Formula | C11H18S2 |
| Exact Mass | 214.084993 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AEnVWuT0Rd0 |
|---|---|
| Name | 2-(2,4-Dimethylpenta-2,4-dien-3-yl)1,3-dithiane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.084992928 u |
| Formula | C11H18S2 |
| InChI | InChI=1S/C11H18S2/c1-8(2)10(9(3)4)11-12-6-5-7-13-11/h11H,1,5-7H2,2-4H3 |
| InChIKey | HNEVXJMLUNHUES-UHFFFAOYSA-N |
| Molecular Weight | 214.385 g/mol |
| SMILES | CC(C(C1SCCCS1)=C(C)C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943376 |