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7-CHLORCOUMARIN
SpectraBase Compound ID 8OUIu84Qjp2
InChI InChI=1S/C9H5ClO2/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5H
InChIKey BWPNKJCEDYRUCB-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 KYMhG0XNgrh
Name 7-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/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5H
InChIKey BWPNKJCEDYRUCB-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 c1c(ccc2c1OC(C=C2)=O)Cl
SPLASH splash10-0ue9-0900000000-f330e9b0dd7adb71bb4f
Source of Spectrum JOC-86-192-125
Thin-Layer Chromatography Rf = 0.4 (ethyl acetate/dichloromethane/hexane, 1:3:6)
Wiley ID 1854925