| SpectraBase Compound ID | 8sx9y8RThYq |
|---|---|
| InChI | InChI=1S/C6H5BrO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H |
| InChIKey | AQVKHRQMAUJBBP-UHFFFAOYSA-N |
| Mol Weight | 189.01 g/mol |
| Molecular Formula | C6H5BrO2 |
| Exact Mass | 187.947292 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JdMyKyrESa8 |
|---|---|
| Name | 1,2-Benzenediol, 4-bromo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.947292399 u |
| Formula | C6H5BrO2 |
| InChI | InChI=1S/C6H5BrO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H |
| InChIKey | AQVKHRQMAUJBBP-UHFFFAOYSA-N |
| Molecular Weight | 189.008 g/mol |
| SMILES | C1(=C(C=CC(=C1)Br)O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943324 |