| SpectraBase Compound ID | AmS9b3iSfvF |
|---|---|
| InChI | InChI=1S/C9H9ClS/c1-2-7-11-9-5-3-8(10)4-6-9/h2-7H,1H3/b7-2+ |
| InChIKey | JQNDOYOZNUNMIM-FARCUNLSSA-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 | JHwfUm1nafV |
|---|---|
| Name | (E) and (Z)-4-Chlorophenyl prop-1-enyl sulfide |
| 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/h2-7H,1H3/b7-2+ |
| InChIKey | JQNDOYOZNUNMIM-FARCUNLSSA-N |
| Molecular Weight | 184.684 g/mol |
| SMILES | C\C=C\SC=1C=CC(=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889724 |