| SpectraBase Compound ID | JH02CRj6Lo0 |
|---|---|
| InChI | InChI=1S/C8H7BrO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3 |
| InChIKey | QMPNFQLVIGPNEI-UHFFFAOYSA-N |
| Mol Weight | 215.05 g/mol |
| Molecular Formula | C8H7BrO2 |
| Exact Mass | 213.962942 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CmUkr5GyI3C |
|---|---|
| Name | 3-Bromo-4-methoxybenzaldehyde |
| 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/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3 |
| InChIKey | QMPNFQLVIGPNEI-UHFFFAOYSA-N |
| Molecular Weight | 215.046 g/mol |
| SMILES | C1(=CC(C=O)=CC=C1OC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927533 |