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2-(4'-Fluorobenzoyl)-1,4-naphthoquinone
SpectraBase Compound ID 4W4EQUBTMo2
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
Mol Weight 280.25 g/mol
Molecular Formula C17H9FO3
Exact Mass 280.053572 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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