![1-[(2-Bromoethyl)sulfanyl]-4-chlorobenzene](/api/spectrum/gV3uzeynk4/structure.png?h=300&w=458 "1-[(2-Bromoethyl)sulfanyl]-4-chlorobenzene")
| SpectraBase Compound ID | 4vOZab4Ppbl |
|---|---|
| InChI | InChI=1S/C8H8BrClS/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,5-6H2 |
| InChIKey | XJHPOHQYGWJCGT-UHFFFAOYSA-N |
| Mol Weight | 251.57 g/mol |
| Molecular Formula | C8H8BrClS |
| Exact Mass | 249.921862 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | gV3uzeynk4 |
|---|---|
| Name | 1-[(2-Bromoethyl)sulfanyl]-4-chlorobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.921862132 u |
| Formula | C8H8BrClS |
| InChI | InChI=1S/C8H8BrClS/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,5-6H2 |
| InChIKey | XJHPOHQYGWJCGT-UHFFFAOYSA-N |
| Molecular Weight | 251.569 g/mol |
| SMILES | C(SC1=CC=C(C=C1)Cl)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.810673 |