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ethyl 5'-bromo-2'-fluoro-3'-iodo-[1,1'-biphenyl]-4-carboxylate
SpectraBase Compound ID H1hiz8keJ8
InChI InChI=1S/C15H11BrFIO2/c1-2-20-15(19)10-5-3-9(4-6-10)12-7-11(16)8-13(18)14(12)17/h3-8H,2H2,1H3
InChIKey CUVPKCRUKJZBST-UHFFFAOYSA-N
Mol Weight 449.06 g/mol
Molecular Formula C15H11BrFIO2
Exact Mass 447.897116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B5R3OJYKvjV
Name ethyl 5'-bromo-2'-fluoro-3'-iodo-[1,1'-biphenyl]-4-carboxylate
Appearance Colorless solid
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Formula C15H11BrFIO2
InChI InChI=1S/C15H11BrFIO2/c1-2-20-15(19)10-5-3-9(4-6-10)12-7-11(16)8-13(18)14(12)17/h3-8H,2H2,1H3
InChIKey CUVPKCRUKJZBST-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1002/anie.201812742
Molecular Weight 449.058 g/mol
Reported Formula C15H11(79)BrFIO2
SMILES c1(c(c(cc(c1)Br)-c1ccc(cc1)C(=O)OCC)F)I
SPLASH splash10-0g2a-0930800000-a82a5d9c6d0443342189
Source of Spectrum ACI-58-SM58-7b
Wiley ID 1840689