SpectraBase Spectrum ID |
IRD2IqwA3J8 |
Name |
3,5-bis(4-Fluorobenzoyl)phenol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
338.075450569 u |
Formula |
C20H12F2O3 |
InChI |
InChI=1S/C20H12F2O3/c21-16-5-1-12(2-6-16)19(24)14-9-15(11-18(23)10-14)20(25)13-3-7-17(22)8-4-13/h1-11,23H |
InChIKey |
JPYRKTLIWNBXPK-UHFFFAOYSA-N |
Molecular Weight |
338.310 g/mol |
SMILES |
C1(=CC=C(C=C1)F)C(C1=CC(=CC(=C1)O)C(C1=CC=C(C=C1)F)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931786 |