| SpectraBase Compound ID | Ix70Gnx16rv |
|---|---|
| InChI | InChI=1S/C8H7BrO2/c1-11-8-4-2-3-7(9)6(8)5-10/h2-5H,1H3 |
| InChIKey | RQLOLSOZFHENIV-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 | BRxSw6RCmcL |
|---|---|
| Name | 3-Bromo-2-formylanisole |
| 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/c1-11-8-4-2-3-7(9)6(8)5-10/h2-5H,1H3 |
| InChIKey | RQLOLSOZFHENIV-UHFFFAOYSA-N |
| Molecular Weight | 215.046 g/mol |
| SMILES | C1=C(C(C=O)=C(C=C1)Br)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.80395 |