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2-(4-bromobenzyl)-2-fluoro-3-keto-butyric acid ethyl ester
SpectraBase Compound ID EjnSJpBcHmw
InChI InChI=1S/C13H14BrFO3/c1-3-18-12(17)13(15,9(2)16)8-10-4-6-11(14)7-5-10/h4-7H,3,8H2,1-2H3
InChIKey KLIXLESPUFCWOF-UHFFFAOYSA-N
Mol Weight 317.15 g/mol
Molecular Formula C13H14BrFO3
Exact Mass 316.011035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bHhoGFp8sy
Name 2-(4-bromobenzyl)-2-fluoro-3-keto-butyric acid ethyl ester
Alternate Name(s) 2-[(4-bromophenyl)methyl]-2-fluoro-3-oxobutanoic acid ethyl ester Ethyl 2-[(4-bromophenyl)methyl]-2-fluoranyl-3-oxidanylidene-butanoate Ethyl 2-[(4-bromophenyl)methyl]-2-fluoro-3-oxo-butanoate
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Formula C13H14BrFO3
InChI InChI=1S/C13H14BrFO3/c1-3-18-12(17)13(15,9(2)16)8-10-4-6-11(14)7-5-10/h4-7H,3,8H2,1-2H3
InChIKey KLIXLESPUFCWOF-UHFFFAOYSA-N
Molecular Weight 317.154 g/mol
SMILES C(C(C(C)=O)(Cc1ccc(cc1)Br)F)(=O)OCC
SPLASH splash10-052f-9410000000-0ecce2c753d0664792d3
Source of Spectrum F-54-2874-2
Wiley ID 806354