| SpectraBase Compound ID | 9v8EAF5vGi9 |
|---|---|
| InChI | InChI=1S/C11H9BrO3/c1-6-3-11(13)15-9-5-8(12)10(14-2)4-7(6)9/h3-5H,1-2H3 |
| InChIKey | WKHVKPZAZYKOAA-UHFFFAOYSA-N |
| Mol Weight | 269.09 g/mol |
| Molecular Formula | C11H9BrO3 |
| Exact Mass | 267.973507 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LDftGJGyL3y |
|---|---|
| Name | 7-Bromo-6-methoxy-4-methylcoumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.973507147 u |
| Formula | C11H9BrO3 |
| InChI | InChI=1S/C11H9BrO3/c1-6-3-11(13)15-9-5-8(12)10(14-2)4-7(6)9/h3-5H,1-2H3 |
| InChIKey | WKHVKPZAZYKOAA-UHFFFAOYSA-N |
| SMILES | C=12C=C(C(=CC1OC(C=C2C)=O)Br)OC |
| Spectrum/Structure Validation Score (Raman) | 0.970076 |