| SpectraBase Compound ID | 4gKq54Za19y |
|---|---|
| InChI | InChI=1S/C13H9BrO3/c14-10-6-4-9(5-7-10)13(16)17-12-3-1-2-11(15)8-12/h1-8,15H |
| InChIKey | PALVPJKVMUHJKT-UHFFFAOYSA-N |
| Mol Weight | 293.12 g/mol |
| Molecular Formula | C13H9BrO3 |
| Exact Mass | 291.973507 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5tP9KQbzWpu |
|---|---|
| Name | 1,3-Benzenediol, o-(4-bromobenzoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.973507147 u |
| Formula | C13H9BrO3 |
| InChI | InChI=1S/C13H9BrO3/c14-10-6-4-9(5-7-10)13(16)17-12-3-1-2-11(15)8-12/h1-8,15H |
| InChIKey | PALVPJKVMUHJKT-UHFFFAOYSA-N |
| Molecular Weight | 293.116 g/mol |
| SMILES | C1(=CC(=CC=C1)OC(=O)C1=CC=C(C=C1)Br)O |