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Benzamide, 3-bromo-N-[5-trifluoromethyl-2-(2,2,3,3-tetrafluoropropoxy)phenyl]-
SpectraBase Compound ID 8y0eYdMSTuv
InChI InChI=1S/C17H11BrF7NO2/c18-11-3-1-2-9(6-11)14(27)26-12-7-10(17(23,24)25)4-5-13(12)28-8-16(21,22)15(19)20/h1-7,15H,8H2,(H,26,27)
InChIKey IJQLMDULHQQHHL-UHFFFAOYSA-N
Mol Weight 474.17 g/mol
Molecular Formula C17H11BrF7NO2
Exact Mass 472.986139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GHH8seWVmph
Name Benzamide, 3-bromo-N-[5-trifluoromethyl-2-(2,2,3,3-tetrafluoropropoxy)phenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 472.986138737 u
Formula C17H11BrF7NO2
InChI InChI=1S/C17H11BrF7NO2/c18-11-3-1-2-9(6-11)14(27)26-12-7-10(17(23,24)25)4-5-13(12)28-8-16(21,22)15(19)20/h1-7,15H,8H2,(H,26,27)
InChIKey IJQLMDULHQQHHL-UHFFFAOYSA-N
Molecular Weight 474.173 g/mol
SMILES C(C(F)F)(COC=1C(NC(C=2C=C(C=CC2)Br)=O)=CC(C(F)(F)F)=CC1)(F)F