| SpectraBase Compound ID | 9UjUFi3cxGD |
|---|---|
| InChI | InChI=1S/C8H9BrO3/c9-7-1-2-8(12)6(4-11)5(7)3-10/h1-2,10-12H,3-4H2 |
| InChIKey | KLPKFJFLEUWGGH-UHFFFAOYSA-N |
| Mol Weight | 233.06 g/mol |
| Molecular Formula | C8H9BrO3 |
| Exact Mass | 231.973507 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ell3FFLuOBd |
|---|---|
| Name | 4-Bromo-2,3-di(hydroxymethyl)phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.973507147 u |
| Formula | C8H9BrO3 |
| InChI | InChI=1S/C8H9BrO3/c9-7-1-2-8(12)6(4-11)5(7)3-10/h1-2,10-12H,3-4H2 |
| InChIKey | KLPKFJFLEUWGGH-UHFFFAOYSA-N |
| Molecular Weight | 233.061 g/mol |
| SMILES | C1(=C(C(O)=CC=C1Br)CO)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917031 |