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3-(2-fluorobenzoyl)-6-methyl-4H-chromen-4-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

3-(2-fluorobenzoyl)-6-methyl-4H-chromen-4-one
SpectraBase Compound ID DYiphGx6kU6
InChI InChI=1S/C17H11FO3/c1-10-6-7-15-12(8-10)17(20)13(9-21-15)16(19)11-4-2-3-5-14(11)18/h2-9H,1H3
InChIKey RSLHDEDZFFIIDS-UHFFFAOYSA-N
Mol Weight 282.27 g/mol
Molecular Formula C17H11FO3
Exact Mass 282.069222 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JIE5xwXHMAf
Name 3-(2-Fluorobenzoyl)-6-methyl-4H-chromen-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.069222374 u
Formula C17H11FO3
InChI InChI=1S/C17H11FO3/c1-10-6-7-15-12(8-10)17(20)13(9-21-15)16(19)11-4-2-3-5-14(11)18/h2-9H,1H3
InChIKey RSLHDEDZFFIIDS-UHFFFAOYSA-N
Molecular Weight 282.270 g/mol
SMILES C1(=CC2=C(C=C1)OC=C(C2=O)C(=O)C1=C(C=CC=C1)F)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938176