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Ethyl 2-(4-Cyanophenyl)-2,2-difluoroacetate
SpectraBase Compound ID 1nDWFOkdd5z
InChI InChI=1S/C11H9F2NO2/c1-2-16-10(15)11(12,13)9-5-3-8(7-14)4-6-9/h3-6H,2H2,1H3
InChIKey AQZHSNKXWKINQU-UHFFFAOYSA-N
Mol Weight 225.19 g/mol
Molecular Formula C11H9F2NO2
Exact Mass 225.060135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HljqvMcWTVY
Name Ethyl 2-(4-Cyanophenyl)-2,2-difluoroacetate
Alternate Name(s) 2-(4-cyanophenyl)-2,2-difluoroacetic acid ethyl ester Ethyl 2-(4-cyanophenyl)-2,2-difluoro-acetate Ethyl 2-(4-cyanophenyl)-2,2-bis(fluoranyl)ethanoate
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Formula C11H9F2NO2
InChI InChI=1S/C11H9F2NO2/c1-2-16-10(15)11(12,13)9-5-3-8(7-14)4-6-9/h3-6H,2H2,1H3
InChIKey AQZHSNKXWKINQU-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol202289z
Molecular Weight 225.195 g/mol
SMILES C(F)(c1ccc(cc1)C#N)(C(OCC)=O)F
SPLASH splash10-0udi-0900000000-cf7bf85f4987095dcb00
Source of Spectrum A1-13-5560/SMS3-3a
Wiley ID 1753852