SpectraBase Spectrum ID |
8wu8SUPTo2z |
Name |
Benzaldehyde, 3-benzyloxy-2,6-difluoro- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
248.064885886 u |
Formula |
C14H10F2O2 |
InChI |
InChI=1S/C14H10F2O2/c15-12-6-7-13(14(16)11(12)8-17)18-9-10-4-2-1-3-5-10/h1-8H,9H2 |
InChIKey |
XUDRVEHXMYKFEF-UHFFFAOYSA-N |
Molecular Weight |
248.229 g/mol |
SMILES |
C1=CC(=C(C(=C1OCC1=CC=CC=C1)F)C=O)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921529 |