| SpectraBase Compound ID | Dvrbx1uhRoe |
|---|---|
| InChI | InChI=1S/C12H22S/c1-3-5-7-9-11-13-12-10-8-6-4-2/h5-8H,3-4,9-12H2,1-2H3/b7-5+,8-6+ |
| InChIKey | REFHVJMPQWTEIV-KQQUZDAGSA-N |
| Mol Weight | 198.37 g/mol |
| Molecular Formula | C12H22S |
| Exact Mass | 198.144222 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 74csY4WkWX7 |
|---|---|
| Name | bis(hex-3-en-1-yl) Sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.144221882 u |
| Formula | C12H22S |
| InChI | InChI=1S/C12H22S/c1-3-5-7-9-11-13-12-10-8-6-4-2/h5-8H,3-4,9-12H2,1-2H3/b7-5+,8-6+ |
| InChIKey | REFHVJMPQWTEIV-KQQUZDAGSA-N |
| Molecular Weight | 198.368 g/mol |
| SMILES | C(\C=C\CC)CSCC\C=C\CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971718 |