| SpectraBase Compound ID | QcQNVh1Ji1 |
|---|---|
| InChI | InChI=1S/C7H10BNO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,10-11H,9H2,1H3 |
| InChIKey | PLTGUDDQNWJILD-UHFFFAOYSA-N |
| Mol Weight | 151.0 g/mol |
| Molecular Formula | C7H10BNO2 |
| Exact Mass | 151.080459 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JaJiwdPJ44j |
|---|---|
| Name | 3-Amino-4-methylbenzeneboronic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 151.080458734 u |
| Formula | C7H10BNO2 |
| InChI | InChI=1S/C7H10BNO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,10-11H,9H2,1H3 |
| InChIKey | PLTGUDDQNWJILD-UHFFFAOYSA-N |
| Molecular Weight | 150.972 g/mol |
| SMILES | OB(C=1C=C(C(=CC1)C)N)O |
| Spectrum/Structure Validation Score (Raman) | 0.967148 |