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Benzamide, 2-bromo-N-[5-trifluoromethyl-2-(2,2,3,3-tetrafluoropropoxy)phenyl]-
SpectraBase Compound ID 2opZq5HMemd
InChI InChI=1S/C17H11BrF7NO2/c18-11-4-2-1-3-10(11)14(27)26-12-7-9(17(23,24)25)5-6-13(12)28-8-16(21,22)15(19)20/h1-7,15H,8H2,(H,26,27)
InChIKey UINCZYDXQIVEFI-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 3sICKY6oxVg
Name Benzamide, 2-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/c18-11-4-2-1-3-10(11)14(27)26-12-7-9(17(23,24)25)5-6-13(12)28-8-16(21,22)15(19)20/h1-7,15H,8H2,(H,26,27)
InChIKey UINCZYDXQIVEFI-UHFFFAOYSA-N
Molecular Weight 474.173 g/mol
SMILES C(C1=C(Br)C=CC=C1)(NC1=C(OCC(C(F)F)(F)F)C=CC(C(F)(F)F)=C1)=O