SpectraBase Spectrum ID |
2XTuhY6c9lu |
Name |
4-Benzyloxy-3-fluorobenzeneboronic acid |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
246.086352576 u |
Formula |
C13H12BFO3 |
InChI |
InChI=1S/C13H12BFO3/c15-12-8-11(14(16)17)6-7-13(12)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2 |
InChIKey |
DQPDLDQJMUGVGI-UHFFFAOYSA-N |
Molecular Weight |
246.044 g/mol |
SMILES |
OB(C=1C=C(C(=CC1)OCC=1C=CC=CC1)F)O |
Spectrum/Structure Validation Score (Raman) |
0.907978 |