| SpectraBase Compound ID | AD40J8aN4zv |
|---|---|
| InChI | InChI=1S/C9H13BO3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h3-6,11-12H,2,7H2,1H3 |
| InChIKey | SOKFEJKZYHYKSY-UHFFFAOYSA-N |
| Mol Weight | 180.0 g/mol |
| Molecular Formula | C9H13BO3 |
| Exact Mass | 180.095774 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Ga92Xx3H1hi |
|---|---|
| Name | 4-N-Propoxybenzeneboronic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.095774446 u |
| Formula | C9H13BO3 |
| InChI | InChI=1S/C9H13BO3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h3-6,11-12H,2,7H2,1H3 |
| InChIKey | SOKFEJKZYHYKSY-UHFFFAOYSA-N |
| SMILES | OB(C=1C=CC(=CC1)OCCC)O |
| Spectrum/Structure Validation Score (Raman) | 0.973292 |