| SpectraBase Compound ID | 9Y3rfrZokyW |
|---|---|
| InChI | InChI=1S/C8H7BrO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3 |
| InChIKey | RKUNSPWAQIUGEZ-UHFFFAOYSA-N |
| Mol Weight | 231.04 g/mol |
| Molecular Formula | C8H7BrO3 |
| Exact Mass | 229.957857 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EC6IERL9mj9 |
|---|---|
| Name | Methyl 4-hydroxy-3-bromobenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.957857082 u |
| Formula | C8H7BrO3 |
| InChI | InChI=1S/C8H7BrO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3 |
| InChIKey | RKUNSPWAQIUGEZ-UHFFFAOYSA-N |
| Molecular Weight | 231.045 g/mol |
| SMILES | C1(=C(C=CC(=C1)C(=O)OC)O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975262 |