| SpectraBase Compound ID | HOiVt6hfNur |
|---|---|
| InChI | InChI=1S/C8H5BrCl2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-5H/b8-5- |
| InChIKey | PUUUTLOYGMNVHZ-YVMONPNESA-N |
| Mol Weight | 251.94 g/mol |
| Molecular Formula | C8H5BrCl2 |
| Exact Mass | 249.895169 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Dr3dgWtY9If |
|---|---|
| Name | 1-(2-Bromo-2-chloroethenyl)-4-chlorobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.895168561 u |
| Formula | C8H5BrCl2 |
| InChI | InChI=1S/C8H5BrCl2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-5H/b8-5- |
| InChIKey | PUUUTLOYGMNVHZ-YVMONPNESA-N |
| Molecular Weight | 251.938 g/mol |
| SMILES | C1(=CC=C(C=C1)\C=C\(Br)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.806303 |