| SpectraBase Compound ID | EBt5EBunRek |
|---|---|
| InChI | InChI=1S/C9H7BrO4/c1-5(11)14-8-4-6(10)2-3-7(8)9(12)13/h2-4H,1H3,(H,12,13) |
| InChIKey | IVMCGPMPQQFJAZ-UHFFFAOYSA-N |
| Mol Weight | 259.06 g/mol |
| Molecular Formula | C9H7BrO4 |
| Exact Mass | 257.952772 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DyVO97RF4FA |
|---|---|
| Name | Benzoic acid, 2-acetoxy-4-bromo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.952771701 u |
| Formula | C9H7BrO4 |
| InChI | InChI=1S/C9H7BrO4/c1-5(11)14-8-4-6(10)2-3-7(8)9(12)13/h2-4H,1H3,(H,12,13) |
| InChIKey | IVMCGPMPQQFJAZ-UHFFFAOYSA-N |
| SMILES | C1(=C(C=CC(=C1)Br)C(O)=O)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956329 |