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Ethyl 3-chloro-2-hydroxy-5-(2'-hydroxy-5'-fluorobenzoyl)-benzoate
SpectraBase Compound ID 5bmTsqtDs8Q
InChI InChI=1S/C16H12ClFO5/c1-2-23-16(22)11-5-8(6-12(17)15(11)21)14(20)10-7-9(18)3-4-13(10)19/h3-7,19,21H,2H2,1H3
InChIKey OJQFPEZWUZABKQ-UHFFFAOYSA-N
Mol Weight 338.72 g/mol
Molecular Formula C16H12ClFO5
Exact Mass 338.035729 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSUaGHNMRhJ
Name Ethyl 3-chloro-2-hydroxy-5-(2'-hydroxy-5'-fluorobenzoyl)-benzoate
Alternate Name(s) 3-Chloro-5-[(5-fluoro-2-hydroxyphenyl)-oxomethyl]-2-hydroxybenzoic acid ethyl ester Ethyl 3-chloro-5-(5-fluoro-2-hydroxybenzoyl)-2-hydroxybenzoate Ethyl 3-chloro-5-(5-fluoro-2-hydroxy-benzoyl)-2-hydroxy-benzoate Ethyl 3-chloranyl-5-(5-fluoranyl-2-oxidanyl-phenyl)carbonyl-2-oxidanyl-benzoate
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Formula C16H12ClFO5
InChI InChI=1S/C16H12ClFO5/c1-2-23-16(22)11-5-8(6-12(17)15(11)21)14(20)10-7-9(18)3-4-13(10)19/h3-7,19,21H,2H2,1H3
InChIKey OJQFPEZWUZABKQ-UHFFFAOYSA-N
Molecular Weight 338.718 g/mol
SMILES Oc1c(C(c2cc(c(c(c2)Cl)O)C(=O)OCC)=O)cc(cc1)F
SPLASH splash10-000i-0926000000-86f1f32af03d51508a8e
Source of Spectrum U1-2009-5866-19f
Wiley ID 1697463