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6-bromo-N-(tert-butyl)-4-(4-(trifluoromethyl)phenyl)picolinamide
SpectraBase Compound ID CRcxcUItZJQ
InChI InChI=1S/C17H16BrF3N2O/c1-16(2,3)23-15(24)13-8-11(9-14(18)22-13)10-4-6-12(7-5-10)17(19,20)21/h4-9H,1-3H3,(H,23,24)
InChIKey WLFWYAKZMHYLOL-UHFFFAOYSA-N
Mol Weight 401.23 g/mol
Molecular Formula C17H16BrF3N2O
Exact Mass 400.039811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EvDAIiW3zMQ
Name 6-bromo-N-(tert-butyl)-4-(4-(trifluoromethyl)phenyl)picolinamide
Appearance Colorless solid
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Formula C17H16BrF3N2O
InChI InChI=1S/C17H16BrF3N2O/c1-16(2,3)23-15(24)13-8-11(9-14(18)22-13)10-4-6-12(7-5-10)17(19,20)21/h4-9H,1-3H3,(H,23,24)
InChIKey WLFWYAKZMHYLOL-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1002/anie.201812742
Molecular Weight 401.227 g/mol
Reported Formula C17H13(79)BrF3N2O
SMILES N(C(c1cc(-c2ccc(cc2)C(F)(F)F)cc(n1)Br)=O)C(C)(C)C
SPLASH splash10-056u-4090000000-6b08639bfde3e0e43c90
Source of Spectrum ACI-58-SM70-23e
Wiley ID 1840663