| SpectraBase Compound ID | 3aOyQwXg5jg |
|---|---|
| InChI | InChI=1S/C9H9BrO3/c1-6(10)9(12)13-8-4-2-3-7(11)5-8/h2-6,11H,1H3 |
| InChIKey | RPHAZNKEIHEMNS-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 | 1OwyY89JJ9G |
|---|---|
| Name | 1,3-Benzenediol, o-(2-bromopropionyl)- |
| 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/c1-6(10)9(12)13-8-4-2-3-7(11)5-8/h2-6,11H,1H3 |
| InChIKey | RPHAZNKEIHEMNS-UHFFFAOYSA-N |
| Molecular Weight | 245.072 g/mol |
| SMILES | C1=CC(=CC(=C1)O)OC(C(C)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.822615 |