| SpectraBase Compound ID | Co8hnRkTbLo |
|---|---|
| InChI | InChI=1S/C9H4Br2F2/c10-8-3-1-7(2-4-8)5-6-9(11,12)13/h1-4H |
| InChIKey | HIUWSERQSSRXHS-UHFFFAOYSA-N |
| Mol Weight | 309.94 g/mol |
| Molecular Formula | C9H4Br2F2 |
| Exact Mass | 307.864782 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2HTHBNpfTaf |
|---|---|
| Name | 1-Bromo-4-(3-bromo-3,3-difluoroprop-1-ynyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.864782455 u |
| Formula | C9H4Br2F2 |
| InChI | InChI=1S/C9H4Br2F2/c10-8-3-1-7(2-4-8)5-6-9(11,12)13/h1-4H |
| InChIKey | HIUWSERQSSRXHS-UHFFFAOYSA-N |
| Molecular Weight | 309.936 g/mol |
| SMILES | C=1(C=CC(=CC1)C#CC(Br)(F)F)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918462 |