| SpectraBase Compound ID | FgHXcaMJAy8 |
|---|---|
| InChI | InChI=1S/C5H7BrO2/c1-4(3-6)5(7)8-2/h1,3H2,2H3 |
| InChIKey | CFTUQSLVERGMHL-UHFFFAOYSA-N |
| Mol Weight | 179.01 g/mol |
| Molecular Formula | C5H7BrO2 |
| Exact Mass | 177.962942 g/mol |
| SpectraBase Spectrum ID | 3Z19dC6rJUX |
|---|---|
| Name | Methyl 2-(bromomethyl)acrylate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.962942463 u |
| Formula | C5H7BrO2 |
| InChI | InChI=1S/C5H7BrO2/c1-4(3-6)5(7)8-2/h1,3H2,2H3 |
| InChIKey | CFTUQSLVERGMHL-UHFFFAOYSA-N |
| Molecular Weight | 179.013 g/mol |
| SMILES | C(Br)C(C(=O)OC)=C |
| Spectrum/Structure Validation Score (Raman) | 0.937374 |