| SpectraBase Compound ID | GUJfLrfYvY1 |
|---|---|
| InChI | InChI=1S/C9H9BrO2/c1-7(11)12-9-4-2-3-8(5-9)6-10/h2-5H,6H2,1H3 |
| InChIKey | ZWUDYGSKBLLKBW-UHFFFAOYSA-N |
| Mol Weight | 229.07 g/mol |
| Molecular Formula | C9H9BrO2 |
| Exact Mass | 227.978593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3RQjEzWt5iu |
|---|---|
| Name | 3-Acetoxybenzyl bromide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.978592528 u |
| Formula | C9H9BrO2 |
| InChI | InChI=1S/C9H9BrO2/c1-7(11)12-9-4-2-3-8(5-9)6-10/h2-5H,6H2,1H3 |
| InChIKey | ZWUDYGSKBLLKBW-UHFFFAOYSA-N |
| Molecular Weight | 229.073 g/mol |
| SMILES | C1=CC=C(C=C1CBr)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941771 |