SpectraBase Spectrum ID |
LuUWULCqOsb |
Name |
2-(4'-Fluorobenzoyl)-1,4-naphthoquinone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
280.053572310 u |
Formula |
C17H9FO3 |
InChI |
InChI=1S/C17H9FO3/c18-11-7-5-10(6-8-11)16(20)14-9-15(19)12-3-1-2-4-13(12)17(14)21/h1-9H |
InChIKey |
GKJKHLDJELGREX-UHFFFAOYSA-N |
Molecular Weight |
280.254 g/mol |
SMILES |
C1(C(=CC(C2=C1C=CC=C2)=O)C(C1=CC=C(C=C1)F)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935171 |