| SpectraBase Compound ID | AJsImqXfXkg |
|---|---|
| InChI | InChI=1S/C8H9BrO2/c1-5-6(9)3-4-7(10)8(5)11-2/h3-4,10H,1-2H3 |
| InChIKey | DYBRXOGMQKOJSD-UHFFFAOYSA-N |
| Mol Weight | 217.06 g/mol |
| Molecular Formula | C8H9BrO2 |
| Exact Mass | 215.978593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4riBNqnt4dj |
|---|---|
| Name | 4-Bromo-2-methoxy-3-methylphenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.978592528 u |
| Formula | C8H9BrO2 |
| InChI | InChI=1S/C8H9BrO2/c1-5-6(9)3-4-7(10)8(5)11-2/h3-4,10H,1-2H3 |
| InChIKey | DYBRXOGMQKOJSD-UHFFFAOYSA-N |
| Molecular Weight | 217.062 g/mol |
| SMILES | C1(=C(C(O)=CC=C1Br)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89646 |