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o-Chlorophenyl Propiolate
SpectraBase Compound ID 8gVVvVBC06Y
InChI InChI=1S/C9H5ClO2/c1-2-9(11)12-8-6-4-3-5-7(8)10/h1,3-6H
InChIKey GHJOTWBHMSBKKT-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 HjgA7H0XlHE
Name o-Chlorophenyl Propiolate
Appearance Colorless oil
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Formula C9H5ClO2
InChI InChI=1S/C9H5ClO2/c1-2-9(11)12-8-6-4-3-5-7(8)10/h1,3-6H
InChIKey GHJOTWBHMSBKKT-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(ccccc1OC(=O)C#C)Cl
SPLASH splash10-0002-0900000000-606975329852c32e81ef
Source of Spectrum JOC-86-187-62
Thin-Layer Chromatography Rf = 0.3 (diethyl ether/hexane, 1:9)
Wiley ID 1854943