| SpectraBase Compound ID | IOs3zEf4e2D |
|---|---|
| InChI | InChI=1S/C8H7BrO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11) |
| InChIKey | FTPAHNNMUYOHOB-UHFFFAOYSA-N |
| Mol Weight | 215.05 g/mol |
| Molecular Formula | C8H7BrO2 |
| Exact Mass | 213.962942 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7rtDHw9MQnT |
|---|---|
| Name | 3-Bromomethylbenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.962942463 u |
| Formula | C8H7BrO2 |
| InChI | InChI=1S/C8H7BrO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11) |
| InChIKey | FTPAHNNMUYOHOB-UHFFFAOYSA-N |
| Molecular Weight | 215.046 g/mol |
| SMILES | C1=CC(C(O)=O)=CC(=C1)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974298 |