SpectraBase Spectrum ID |
7dK7TUb0HcS |
Name |
Benzaldehyde, 2-fluoro-3,4-dibenzyloxy-5-hydroxy- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
352.111087186 u |
Formula |
C21H17FO4 |
InChI |
InChI=1S/C21H17FO4/c22-19-17(12-23)11-18(24)20(25-13-15-7-3-1-4-8-15)21(19)26-14-16-9-5-2-6-10-16/h1-12,24H,13-14H2 |
InChIKey |
YKPASGZYPZIHAQ-UHFFFAOYSA-N |
Molecular Weight |
352.361 g/mol |
SMILES |
C1=C(C(=C(C(=C1O)OCC1=CC=CC=C1)OCC1=CC=CC=C1)F)C=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882837 |