| SpectraBase Compound ID | 5bblAzoBufY |
|---|---|
| InChI | InChI=1S/C9H8Br2O/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-6H,1H3 |
| InChIKey | XPGMTAJFVVLSQL-UHFFFAOYSA-N |
| Mol Weight | 291.97 g/mol |
| Molecular Formula | C9H8Br2O |
| Exact Mass | 289.894191 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KU8FHzz2DXj |
|---|---|
| Name | 1-(2,2-Dibromoethenyl)-3-methoxybenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.894190877 u |
| Formula | C9H8Br2O |
| InChI | InChI=1S/C9H8Br2O/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-6H,1H3 |
| InChIKey | XPGMTAJFVVLSQL-UHFFFAOYSA-N |
| SMILES | C(=CC=1C=C(OC)C=CC1)(Br)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.837344 |