| SpectraBase Compound ID | BBdRJS8yBHK |
|---|---|
| InChI | InChI=1S/C8H6Br2O/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3 |
| InChIKey | NHFJDRRYVMJBRJ-UHFFFAOYSA-N |
| Mol Weight | 277.94 g/mol |
| Molecular Formula | C8H6Br2O |
| Exact Mass | 275.878541 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3CfRaxSEeTO |
|---|---|
| Name | Ethanone, 1-(3,5-dibromophenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.878540812 u |
| Formula | C8H6Br2O |
| InChI | InChI=1S/C8H6Br2O/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3 |
| InChIKey | NHFJDRRYVMJBRJ-UHFFFAOYSA-N |
| SMILES | C1(=CC(=CC(=C1)Br)Br)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.848732 |