| SpectraBase Compound ID | 1NBwDL2RZnJ |
|---|---|
| InChI | InChI=1S/C6H6BNO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,9-10H |
| InChIKey | NSFJAFZHYOAMHL-UHFFFAOYSA-N |
| Mol Weight | 166.9 g/mol |
| Molecular Formula | C6H6BNO4 |
| Exact Mass | 167.038988 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9wprje8ewVZ |
|---|---|
| Name | 4-Nitrophenylboronic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.038987843 u |
| Formula | C6H6BNO4 |
| InChI | InChI=1S/C6H6BNO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,9-10H |
| InChIKey | NSFJAFZHYOAMHL-UHFFFAOYSA-N |
| SMILES | OB(C=1C=CC(=CC1)N(=O)=O)O |
| Spectrum/Structure Validation Score (Raman) | 0.975844 |