| SpectraBase Compound ID | 1K4l09fJxHy |
|---|---|
| InChI | InChI=1S/C8H6Br2O/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2 |
| InChIKey | LAXPJIJQTHJGCK-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 | 9dMnknaCSgV |
|---|---|
| Name | 2-Bromanyl-1-(2-bromophenyl)ethanone |
| 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/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2 |
| InChIKey | LAXPJIJQTHJGCK-UHFFFAOYSA-N |
| SMILES | C=1(C(=CC=CC1)Br)C(=O)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93143 |