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5-Chloro-2H-chromen-2-one
SpectraBase Compound ID OmzorWdAn9
InChI InChI=1S/C9H5ClO2/c10-7-2-1-3-8-6(7)4-5-9(11)12-8/h1-5H
InChIKey VYFHMNIBSWVKIH-UHFFFAOYSA-N
Mol Weight 180.59 g/mol
Molecular Formula C9H5ClO2
Exact Mass 179.997807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62r54Ha38YB
Name 5-Chloro-2H-chromen-2-one
Appearance Colorless crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5ClO2
InChI InChI=1S/C9H5ClO2/c10-7-2-1-3-8-6(7)4-5-9(11)12-8/h1-5H
InChIKey VYFHMNIBSWVKIH-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.0c02011
Molecular Weight 180.590 g/mol
Reported Formula C9H5(35)ClO2
SMILES C1=Cc2c(OC1=O)cccc2Cl
SPLASH splash10-0ue9-0900000000-dbca5a88be1965745f4f
Source of Spectrum JOC-86-192-126
Thin-Layer Chromatography Rf = 0.7 (ethyl acetate/toluene, 1:8)
Wiley ID 1854926