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N-[3-(trifluoromethyl)phenyl][1,1'-biphenyl]-4-carboxamide
SpectraBase Compound ID 3DNfjD8hgVn
InChI InChI=1S/C20H14F3NO/c21-20(22,23)17-7-4-8-18(13-17)24-19(25)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-13H,(H,24,25)
InChIKey KUEABHHFINTHSK-UHFFFAOYSA-N
Mol Weight 341.33 g/mol
Molecular Formula C20H14F3NO
Exact Mass 341.102749 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LgRqjLOlsKd
Name N-[3-(Trifluoromethyl)phenyl][1,1'-biphenyl]-4-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 341.102748563 u
Formula C20H14F3NO
InChI InChI=1S/C20H14F3NO/c21-20(22,23)17-7-4-8-18(13-17)24-19(25)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-13H,(H,24,25)
InChIKey KUEABHHFINTHSK-UHFFFAOYSA-N
Molecular Weight 341.333 g/mol
SMILES N(C(C1=CC=C(C=C1)C=1C=CC=CC1)=O)C=1C=C(C(F)(F)F)C=CC1