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8-Chloro-2H-chromen-2-one
SpectraBase Compound ID AB4gTKcuZ3t
InChI InChI=1S/C9H5ClO2/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5H
InChIKey VJSCJTIZNLCOJW-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 AWsYvAfMPgp
Name 8-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/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5H
InChIKey VJSCJTIZNLCOJW-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.0c02011
Molecular Weight 180.590 g/mol
Reported Formula C9H5(37)ClO2
SMILES c1(cccc2c1OC(C=C2)=O)Cl
SPLASH splash10-0f89-0900000000-33bda009f5d9d47ddd7c
Source of Spectrum JOC-86-190-106
Thin-Layer Chromatography Rf = 0.3 (ethyl acetate/dichloromethane/hexane, 0.5:3:6.5)
Wiley ID 1854919