| SpectraBase Compound ID | IkUR8DQUcd7 |
|---|---|
| InChI | InChI=1S/C6H4Br2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H |
| InChIKey | KYZSNVXYOQKZAK-UHFFFAOYSA-N |
| Mol Weight | 251.9 g/mol |
| Molecular Formula | C6H4Br2O |
| Exact Mass | 249.862891 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7HmNYh430tj |
|---|---|
| Name | 3,4-Dibromophenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.862890748 u |
| Formula | C6H4Br2O |
| InChI | InChI=1S/C6H4Br2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H |
| InChIKey | KYZSNVXYOQKZAK-UHFFFAOYSA-N |
| Molecular Weight | 251.905 g/mol |
| SMILES | C1=C(C=C(C(=C1)Br)Br)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.867186 |