![4-[(2-Fluorobenzyl)oxy]phenylboronic acid](/api/spectrum/IdmmyDevLov/structure.png?h=300&w=458 "4-[(2-Fluorobenzyl)oxy]phenylboronic acid")
| SpectraBase Compound ID | AAfRt4FhXxI |
|---|---|
| InChI | InChI=1S/C13H12BFO3/c15-13-4-2-1-3-10(13)9-18-12-7-5-11(6-8-12)14(16)17/h1-8,16-17H,9H2 |
| InChIKey | MSMQSLDBKPNEPX-UHFFFAOYSA-N |
| Mol Weight | 246.0 g/mol |
| Molecular Formula | C13H12BFO3 |
| Exact Mass | 246.086353 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IdmmyDevLov |
|---|---|
| Name | 4-[(2-Fluorobenzyl)oxy]phenylboronic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.086352576 u |
| Formula | C13H12BFO3 |
| InChI | InChI=1S/C13H12BFO3/c15-13-4-2-1-3-10(13)9-18-12-7-5-11(6-8-12)14(16)17/h1-8,16-17H,9H2 |
| InChIKey | MSMQSLDBKPNEPX-UHFFFAOYSA-N |
| Molecular Weight | 246.044 g/mol |
| SMILES | OB(O)C=1C=CC(=CC1)OCC=1C(=CC=CC1)F |