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2-[2-(4-Fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide

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2-[2-(4-Fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide
SpectraBase Compound ID 4E4iJTk9NVL
InChI InChI=1S/C26H24FNO3/c1-17(2)24(29)23(26(31)28-21-11-7-4-8-12-21)22(18-9-5-3-6-10-18)25(30)19-13-15-20(27)16-14-19/h3-17,22-23H,1-2H3,(H,28,31)
InChIKey SNPBHOICIJUUFB-UHFFFAOYSA-N
Mol Weight 417.48 g/mol
Molecular Formula C26H24FNO3
Exact Mass 417.174022 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2hlyZjw4TTC
Name 2-[2-(4-Fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide
Comments Computed using HOSE algorithm
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Exact Mass 417.174021797 u
Formula C26H24FNO3
InChI InChI=1S/C26H24FNO3/c1-17(2)24(29)23(26(31)28-21-11-7-4-8-12-21)22(18-9-5-3-6-10-18)25(30)19-13-15-20(27)16-14-19/h3-17,22-23H,1-2H3,(H,28,31)
InChIKey SNPBHOICIJUUFB-UHFFFAOYSA-N
Molecular Weight 417.480 g/mol
SMILES C(C(C(C(C)C)=O)C(C(=O)C1=CC=C(C=C1)F)C1=CC=CC=C1)(=O)NC1=CC=CC=C1