| SpectraBase Compound ID | 8R012n7J5wD |
|---|---|
| InChI | InChI=1S/C8H7ClS/c1-2-10-8-5-3-7(9)4-6-8/h2-6H,1H2 |
| InChIKey | NRBOLYMXWRDLMX-UHFFFAOYSA-N |
| Mol Weight | 170.66 g/mol |
| Molecular Formula | C8H7ClS |
| Exact Mass | 169.995699 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G4edpDYL8Od |
|---|---|
| Name | 4-Chloro-phenylvinyl-sulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 169.995699099 u |
| Formula | C8H7ClS |
| InChI | InChI=1S/C8H7ClS/c1-2-10-8-5-3-7(9)4-6-8/h2-6H,1H2 |
| InChIKey | NRBOLYMXWRDLMX-UHFFFAOYSA-N |
| Molecular Weight | 170.657 g/mol |
| SMILES | C(SC1=CC=C(Cl)C=C1)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.845304 |