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Ethyl 5'-cyano-2'-fluoro-[1,1'-biphenyl]-4-carboxylate
SpectraBase Compound ID Lgu7Cq4Lyoq
InChI InChI=1S/C16H12FNO2/c1-2-20-16(19)13-6-4-12(5-7-13)14-9-11(10-18)3-8-15(14)17/h3-9H,2H2,1H3
InChIKey ULJIAPJCAAETDH-UHFFFAOYSA-N
Mol Weight 269.28 g/mol
Molecular Formula C16H12FNO2
Exact Mass 269.085207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EgH3KLGsrrb
Name Ethyl 5'-cyano-2'-fluoro-[1,1'-biphenyl]-4-carboxylate
Alternate Name(s) 4-(5-cyano-2-fluorophenyl)benzoic acid ethyl ester Ethyl 4-(5-cyano-2-fluorophenyl)benzoate Ethyl 4-(5-cyano-2-fluoro-phenyl)benzoate Ethyl 4-(5-cyano-2-fluoranyl-phenyl)benzoate
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Formula C16H12FNO2
InChI InChI=1S/C16H12FNO2/c1-2-20-16(19)13-6-4-12(5-7-13)14-9-11(10-18)3-8-15(14)17/h3-9H,2H2,1H3
InChIKey ULJIAPJCAAETDH-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol201109g
Molecular Weight 269.275 g/mol
SMILES c1c(c(-c2ccc(C(OCC)=O)cc2)cc(c1)C#N)F
SPLASH splash10-00xv-0490000000-3863aedcd21dbae3f0ac
Source of Spectrum A1-13-3198/SMS3-4a
Wiley ID 1753329