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5-Bromo-4-methylpyridin-2-yl trifluoromethanesulfonate
SpectraBase Compound ID KhMOMcwWFKW
InChI InChI=1S/C9H8BrF3O3S/c1-5-3-7(4-6(2)8(5)10)16-17(14,15)9(11,12)13/h3-4H,1-2H3
InChIKey BNFVLWAYCBUPHK-UHFFFAOYSA-N
Mol Weight 333.12 g/mol
Molecular Formula C9H8BrF3O3S
Exact Mass 331.932963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JYQ2ssBs3I9
Name 5-Bromo-4-methylpyridin-2-yl trifluoromethanesulfonate
Appearance Colorless oil
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Exact Mass 331.932962778 u
Formula C9H8BrF3O3S
InChI InChI=1S/C9H8BrF3O3S/c1-5-3-7(4-6(2)8(5)10)16-17(14,15)9(11,12)13/h3-4H,1-2H3
InChIKey BNFVLWAYCBUPHK-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201609635
Molecular Weight 333.119 g/mol
Quality 220
SMILES C1(=C(C=C(C=C1C)OS(C(F)(F)F)(=O)=O)C)Br
SPLASH splash10-0fl4-3934000000-e5a8534a3eec30bcb149
Source of Spectrum ACI-56-SM12-12-1 (DOI: 10.1002/anie.201609635)
Thin-Layer Chromatography 0.42 (Pentane/EtOAc, 2:1)
Wiley ID 1892862