![Benzene, 1-[1-(bromomethyl)ethenyl]-4-chloro-](/api/spectrum/bHyxHbqccN/structure.png?h=300&w=458 "Benzene, 1-[1-(bromomethyl)ethenyl]-4-chloro-")
| SpectraBase Compound ID | F744vcXTxSG |
|---|---|
| InChI | InChI=1S/C9H8BrCl/c1-7(6-10)8-2-4-9(11)5-3-8/h2-5H,1,6H2 |
| InChIKey | WLHYINHUIIECRI-UHFFFAOYSA-N |
| Mol Weight | 231.52 g/mol |
| Molecular Formula | C9H8BrCl |
| Exact Mass | 229.949791 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | bHyxHbqccN |
|---|---|
| Name | Benzene, 1-[1-(bromomethyl)ethenyl]-4-chloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.949790958 u |
| Formula | C9H8BrCl |
| InChI | InChI=1S/C9H8BrCl/c1-7(6-10)8-2-4-9(11)5-3-8/h2-5H,1,6H2 |
| InChIKey | WLHYINHUIIECRI-UHFFFAOYSA-N |
| Molecular Weight | 231.520 g/mol |
| SMILES | c1(Cl)ccc(cc1)C(CBr)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929667 |