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3-(4-Chlorophenyl)-4H-chromen-4-one
SpectraBase Compound ID F5qahQvfCD6
InChI InChI=1S/C15H9ClO2/c16-11-7-5-10(6-8-11)13-9-18-14-4-2-1-3-12(14)15(13)17/h1-9H
InChIKey QOYITOSGDMBRBE-UHFFFAOYSA-N
Mol Weight 256.69 g/mol
Molecular Formula C15H9ClO2
Exact Mass 256.029107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JrOWvvf1y5
Name 3-(4-Chlorophenyl)-4H-chromen-4-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H9ClO2
InChI InChI=1S/C15H9ClO2/c16-11-7-5-10(6-8-11)13-9-18-14-4-2-1-3-12(14)15(13)17/h1-9H
InChIKey QOYITOSGDMBRBE-UHFFFAOYSA-N
Instrument Name GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.0c02294
Molecular Weight 256.688 g/mol
SMILES c1(Cl)ccc(cc1)C1=COc2c(C1=O)cccc2
SPLASH splash10-0abc-5890000000-7bd08b8e1ccc2d362d36
Source of Spectrum JOC-86-4905-5b
Thin-Layer Chromatography Rf = 0.5 (Hex:EtAc, 6:1)
Wiley ID 1867944