| SpectraBase Compound ID | FDzHcvE2EGl |
|---|---|
| InChI | InChI=1S/C8H6Br2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3 |
| InChIKey | RBCUIRIGTNHLPS-UHFFFAOYSA-N |
| Mol Weight | 293.94 g/mol |
| Molecular Formula | C8H6Br2O2 |
| Exact Mass | 291.873455 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2nmyJ4ftNep |
|---|---|
| Name | Methyl 2,5-dibromobenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.873455431 u |
| Formula | C8H6Br2O2 |
| InChI | InChI=1S/C8H6Br2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3 |
| InChIKey | RBCUIRIGTNHLPS-UHFFFAOYSA-N |
| Molecular Weight | 293.942 g/mol |
| SMILES | C1(Br)=C(C(=O)OC)C=C(C=C1)Br |
| Spectrum/Structure Validation Score (Raman) | 0.729413 |