| SpectraBase Compound ID | 3N24vFaTQL5 |
|---|---|
| InChI | InChI=1S/C9H9BrO3/c1-2-13-8-4-7(10)3-6(5-11)9(8)12/h3-5,12H,2H2,1H3 |
| InChIKey | VXBLUCOQXWXUBJ-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 | CiuhGEMg0i1 |
|---|---|
| Name | 5-Bromo-3-ethoxy-2-hydroxybenzaldehyde |
| 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/c1-2-13-8-4-7(10)3-6(5-11)9(8)12/h3-5,12H,2H2,1H3 |
| InChIKey | VXBLUCOQXWXUBJ-UHFFFAOYSA-N |
| Molecular Weight | 245.072 g/mol |
| SMILES | C1(Br)=CC(=C(C(=C1)C=O)O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959905 |