| SpectraBase Compound ID | HHq26yhhRd3 |
|---|---|
| InChI | InChI=1S/C9H9BrS/c1-2-7-11-9-5-3-8(10)4-6-9/h2-6H,1,7H2 |
| InChIKey | YJSJZKBPRLJLPC-UHFFFAOYSA-N |
| Mol Weight | 229.13 g/mol |
| Molecular Formula | C9H9BrS |
| Exact Mass | 227.960834 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DJjlNsVakL4 |
|---|---|
| Name | 1-(Allylthio)-4-bromo-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.960834464 u |
| Formula | C9H9BrS |
| InChI | InChI=1S/C9H9BrS/c1-2-7-11-9-5-3-8(10)4-6-9/h2-6H,1,7H2 |
| InChIKey | YJSJZKBPRLJLPC-UHFFFAOYSA-N |
| Molecular Weight | 229.135 g/mol |
| SMILES | C(SC=1C=CC(=CC1)Br)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934076 |