| SpectraBase Compound ID | 2mz8ZVrpVxY |
|---|---|
| InChI | InChI=1S/C10H5BrO3/c11-7-1-2-9-8(3-7)10(13)6(4-12)5-14-9/h1-5H |
| InChIKey | PCEZXSJBHMOQFT-UHFFFAOYSA-N |
| Mol Weight | 253.05 g/mol |
| Molecular Formula | C10H5BrO3 |
| Exact Mass | 251.942207 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CHwtuAqxmlS |
|---|---|
| Name | 6-Bromo-3-formylchromone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.942207018 u |
| Formula | C10H5BrO3 |
| InChI | InChI=1S/C10H5BrO3/c11-7-1-2-9-8(3-7)10(13)6(4-12)5-14-9/h1-5H |
| InChIKey | PCEZXSJBHMOQFT-UHFFFAOYSA-N |
| Molecular Weight | 253.051 g/mol |
| SMILES | C1=C(C=C2C(C(=COC2=C1)C=O)=O)Br |
| Spectrum/Structure Validation Score (Raman) | 0.7345 |