| SpectraBase Compound ID | JYfj6Ln1MMm |
|---|---|
| InChI | InChI=1S/C8H8Br2O/c1-5-7(9)3-6(11-2)4-8(5)10/h3-4H,1-2H3 |
| InChIKey | BZRKRRXRNGVEIZ-UHFFFAOYSA-N |
| Mol Weight | 279.96 g/mol |
| Molecular Formula | C8H8Br2O |
| Exact Mass | 277.894191 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2agU9isnkQc |
|---|---|
| Name | 2,6-Dibromo-4-methoxytoluene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.894190877 u |
| Formula | C8H8Br2O |
| InChI | InChI=1S/C8H8Br2O/c1-5-7(9)3-6(11-2)4-8(5)10/h3-4H,1-2H3 |
| InChIKey | BZRKRRXRNGVEIZ-UHFFFAOYSA-N |
| SMILES | C1(=C(C(=CC(=C1)OC)Br)C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959517 |