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ethyl 6'-bromo-3'-cyano-2'-fluorobiphenyl-4-carboxylate
SpectraBase Compound ID 7l0L1sszC1E
InChI InChI=1S/C16H11BrFNO2/c1-2-21-16(20)11-5-3-10(4-6-11)14-13(17)8-7-12(9-19)15(14)18/h3-8H,2H2,1H3
InChIKey FFPHTEINDNDKPB-UHFFFAOYSA-N
Mol Weight 348.17 g/mol
Molecular Formula C16H11BrFNO2
Exact Mass 346.99572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1a58co4g7n2
Name ethyl 6'-bromo-3'-cyano-2'-fluorobiphenyl-4-carboxylate
Appearance Yellow oil
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Formula C16H11BrFNO2
InChI InChI=1S/C16H11BrFNO2/c1-2-21-16(20)11-5-3-10(4-6-11)14-13(17)8-7-12(9-19)15(14)18/h3-8H,2H2,1H3
InChIKey FFPHTEINDNDKPB-UHFFFAOYSA-N
Instrument Name Finnigan MAT95Q
Ionization Type EI
Molecular Weight 348.171 g/mol
Reported Formula C16H11BrFNO2
SMILES c1(ccc(cc1)C(=O)OCC)-c1c(c(ccc1Br)C#N)F
SPLASH splash10-0udj-0209000000-a661b0469f738cd4d1a8
Source of Spectrum EP3168224A1
Wiley ID 1855237