| SpectraBase Compound ID | 8NifRbDiw27 |
|---|---|
| InChI | InChI=1S/C9H9ClS/c1-2-7-11-9-5-3-8(10)4-6-9/h2-6H,1,7H2 |
| InChIKey | GUQRBCWKKOWSNU-UHFFFAOYSA-N |
| Mol Weight | 184.68 g/mol |
| Molecular Formula | C9H9ClS |
| Exact Mass | 184.011349 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 13ygHtqNFT0 |
|---|---|
| Name | 1-(Allylthio)-4-chloro-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.011349164 u |
| Formula | C9H9ClS |
| InChI | InChI=1S/C9H9ClS/c1-2-7-11-9-5-3-8(10)4-6-9/h2-6H,1,7H2 |
| InChIKey | GUQRBCWKKOWSNU-UHFFFAOYSA-N |
| Molecular Weight | 184.684 g/mol |
| SMILES | C(=C)CSC1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928721 |