| SpectraBase Compound ID | CBESTPe7JAG |
|---|---|
| InChI | InChI=1S/C8H9BO4/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-5,11-12H,1H3 |
| InChIKey | NKKNXLPHCRLBDY-UHFFFAOYSA-N |
| Mol Weight | 180.0 g/mol |
| Molecular Formula | C8H9BO4 |
| Exact Mass | 180.059389 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | iGgBgXFB66 |
|---|---|
| Name | 5-Formyl-2-methoxyphenylboronic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.059388936 u |
| Formula | C8H9BO4 |
| InChI | InChI=1S/C8H9BO4/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-5,11-12H,1H3 |
| InChIKey | NKKNXLPHCRLBDY-UHFFFAOYSA-N |
| Molecular Weight | 179.966 g/mol |
| SMILES | C1(B(O)O)=C(C=CC(=C1)C=O)OC |
| Spectrum/Structure Validation Score (Raman) | 0.76551 |