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2-Bromo-3-(3-fluorophenylethynyl)-1,4-dimethoxybenzene
SpectraBase Compound ID LmMy1DRZcZr
InChI InChI=1S/C16H12BrFO2/c1-19-14-8-9-15(20-2)16(17)13(14)7-6-11-4-3-5-12(18)10-11/h3-5,8-10H,1-2H3
InChIKey PPXQITJTWFFRDP-UHFFFAOYSA-N
Mol Weight 335.17 g/mol
Molecular Formula C16H12BrFO2
Exact Mass 334.000471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cecv5XdZBfZ
Name 2-Bromo-3-(3-fluorophenylethynyl)-1,4-dimethoxybenzene
Appearance Reddish brown solid
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Formula C16H12BrFO2
InChI InChI=1S/C16H12BrFO2/c1-19-14-8-9-15(20-2)16(17)13(14)7-6-11-4-3-5-12(18)10-11/h3-5,8-10H,1-2H3
InChIKey PPXQITJTWFFRDP-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.7.146
Molecular Weight 335.172 g/mol
Reported Formula C16H12BrFO2
SMILES c1cc(c(Br)c(C#Cc2cccc(c2)F)c1OC)OC
SPLASH splash10-001r-0019000000-cf0d0ccf0e3208689e6c
Source of Spectrum BJO-7-SM13-7d
Wiley ID 1867106