| SpectraBase Compound ID | ELSxeMOn2wF |
|---|---|
| InChI | InChI=1S/C13H13BrO3/c1-7-6-8-9(16-2)4-5-10(17-3)11(8)13(15)12(7)14/h4-6,15H,1-3H3 |
| InChIKey | ODNAZWCJHUDISF-UHFFFAOYSA-N |
| Mol Weight | 297.15 g/mol |
| Molecular Formula | C13H13BrO3 |
| Exact Mass | 296.004807 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FQJOZl6m9mQ |
|---|---|
| Name | 2-Bromo-5,8-dimethoxy-3-methyl-1-naphthol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.004807276 u |
| Formula | C13H13BrO3 |
| InChI | InChI=1S/C13H13BrO3/c1-7-6-8-9(16-2)4-5-10(17-3)11(8)13(15)12(7)14/h4-6,15H,1-3H3 |
| InChIKey | ODNAZWCJHUDISF-UHFFFAOYSA-N |
| SMILES | C1=CC(=C2C(=C1OC)C=C(C(=C2O)Br)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938915 |