| SpectraBase Compound ID | 1kpRu9bhtA9 |
|---|---|
| InChI | InChI=1S/C8H8Br2/c1-5-6(2)8(10)4-3-7(5)9/h3-4H,1-2H3 |
| InChIKey | IVJJDBCZDJFMNZ-UHFFFAOYSA-N |
| Mol Weight | 263.96 g/mol |
| Molecular Formula | C8H8Br2 |
| Exact Mass | 261.899276 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 46fUjrKtGjP |
|---|---|
| Name | 3,6-Dibromo-o-xylene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.899276258 u |
| Formula | C8H8Br2 |
| InChI | InChI=1S/C8H8Br2/c1-5-6(2)8(10)4-3-7(5)9/h3-4H,1-2H3 |
| InChIKey | IVJJDBCZDJFMNZ-UHFFFAOYSA-N |
| SMILES | C1(Br)=C(C)C(C)=C(Br)C=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.916205 |