| SpectraBase Compound ID | JPh2XpcYD7p |
|---|---|
| InChI | InChI=1S/C9H9BrO3/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5,11H,2H2,1H3 |
| InChIKey | OGILVZCKMMXBJI-UHFFFAOYSA-N |
| Mol Weight | 245.07 g/mol |
| Molecular Formula | C9H9BrO3 |
| Exact Mass | 243.973507 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | InvU5SjJMIS |
|---|---|
| Name | Ethyl 5-bromo-2-hydroxybenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.973507147 u |
| Formula | C9H9BrO3 |
| InChI | InChI=1S/C9H9BrO3/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5,11H,2H2,1H3 |
| InChIKey | OGILVZCKMMXBJI-UHFFFAOYSA-N |
| Molecular Weight | 245.072 g/mol |
| SMILES | C1(Br)=CC(=C(C=C1)O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96442 |