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1-(5-bromo-2-fluoro-3'-methoxy-[1,1'-biphenyl]-3-yl)-2,2-dimethylpropan-1-one
SpectraBase Compound ID 5qpEuSHjVsR
InChI InChI=1S/C18H18BrFO2/c1-18(2,3)17(21)15-10-12(19)9-14(16(15)20)11-6-5-7-13(8-11)22-4/h5-10H,1-4H3
InChIKey SZSRFAQKDFEUIU-UHFFFAOYSA-N
Mol Weight 365.24 g/mol
Molecular Formula C18H18BrFO2
Exact Mass 364.047421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 76xFq5AcVG9
Name 1-(5-bromo-2-fluoro-3'-methoxy-[1,1'-biphenyl]-3-yl)-2,2-dimethylpropan-1-one
Appearance Colorless oil
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Formula C18H18BrFO2
InChI InChI=1S/C18H18BrFO2/c1-18(2,3)17(21)15-10-12(19)9-14(16(15)20)11-6-5-7-13(8-11)22-4/h5-10H,1-4H3
InChIKey SZSRFAQKDFEUIU-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1002/anie.201812742
Molecular Weight 365.242 g/mol
Reported Formula C18H18(79)BrFO2
SMILES c1(c(c(cc(c1)Br)C(=O)C(C)(C)C)F)-c1cc(ccc1)OC
SPLASH splash10-0a4i-1910000000-4b79cb47ae5246743b25
Source of Spectrum ACI-58-SM50-4b
Wiley ID 1840678