SpectraBase Spectrum ID |
ALEDInksDwF |
Name |
Benzaldehyde, 3-benzyloxy-2-fluoro-4-methoxy- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
260.084872439 u |
Formula |
C15H13FO3 |
InChI |
InChI=1S/C15H13FO3/c1-18-13-8-7-12(9-17)14(16)15(13)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3 |
InChIKey |
GKABEIWEWXFWMQ-UHFFFAOYSA-N |
Molecular Weight |
260.264 g/mol |
SMILES |
C1=C(C(=C(C(=C1)OC)OCC1=CC=CC=C1)F)C=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914793 |