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3,5-dibromo-2-(4-(trifluoromethoxy)phenyl)pyridine
SpectraBase Compound ID Ysu2MRMX3g
InChI InChI=1S/C12H6Br2F3NO/c13-8-5-10(14)11(18-6-8)7-1-3-9(4-2-7)19-12(15,16)17/h1-6H
InChIKey OFGYQDXRJGNYHE-UHFFFAOYSA-N
Mol Weight 396.99 g/mol
Molecular Formula C12H6Br2F3NO
Exact Mass 394.876824 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eeKCG5tfs8
Name 3,5-dibromo-2-(4-(trifluoromethoxy)phenyl)pyridine
Appearance White solid
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Formula C12H6Br2F3NO
InChI InChI=1S/C12H6Br2F3NO/c13-8-5-10(14)11(18-6-8)7-1-3-9(4-2-7)19-12(15,16)17/h1-6H
InChIKey OFGYQDXRJGNYHE-UHFFFAOYSA-N
Instrument Name Thermo Finnigan LTQ FT Ultra High Performance
Ionization Type EI
Literature Reference DOI 10.1002/anie.201908046
Molecular Weight 396.989 g/mol
Reported Formula C12H6Br2F3NO
SMILES c1(Br)cc(c(nc1)-c1ccc(cc1)OC(F)(F)F)Br
SPLASH splash10-014i-0129000000-7f55730003734c48c687
Source of Spectrum ACI-58-SM11-2k
Wiley ID 1875596