| SpectraBase Compound ID | FteaKtiDJZt |
|---|---|
| InChI | InChI=1S/C8H7BrO3/c1-12-7-3-6(9)2-5(4-10)8(7)11/h2-4,11H,1H3 |
| InChIKey | MMFKBTPDEVLIOR-UHFFFAOYSA-N |
| Mol Weight | 231.04 g/mol |
| Molecular Formula | C8H7BrO3 |
| Exact Mass | 229.957857 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3Pg1b0P6hZx |
|---|---|
| Name | 5-Bromo-2-hydroxy-m-anisaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.957857082 u |
| Formula | C8H7BrO3 |
| InChI | InChI=1S/C8H7BrO3/c1-12-7-3-6(9)2-5(4-10)8(7)11/h2-4,11H,1H3 |
| InChIKey | MMFKBTPDEVLIOR-UHFFFAOYSA-N |
| Molecular Weight | 231.045 g/mol |
| SMILES | OC1=C(C=C(C=C1C=O)Br)OC |
| Spectrum/Structure Validation Score (Raman) | 0.962222 |