| SpectraBase Compound ID | A58anFwCKlu |
|---|---|
| InChI | InChI=1S/C12H7Br2F/c13-11-4-2-1-3-9(11)10-7-8(15)5-6-12(10)14/h1-7H |
| InChIKey | FKCBGFYYLKYVNA-UHFFFAOYSA-N |
| Mol Weight | 329.99 g/mol |
| Molecular Formula | C12H7Br2F |
| Exact Mass | 327.889854 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BNtHRinXAN3 |
|---|---|
| Name | 2,2'-Dibromo-5-fluoro-1,1'-biphenyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.889854388 u |
| Formula | C12H7Br2F |
| InChI | InChI=1S/C12H7Br2F/c13-11-4-2-1-3-9(11)10-7-8(15)5-6-12(10)14/h1-7H |
| InChIKey | FKCBGFYYLKYVNA-UHFFFAOYSA-N |
| Molecular Weight | 329.994 g/mol |
| SMILES | C=1(C(=CC=C(C1)F)Br)C=1C(=CC=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.873785 |