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N-(4-acetylphenyl)-2,3,4,5,6-pentafluorobenzamide
SpectraBase Compound ID CCizXRFTpsQ
InChI InChI=1S/C15H8F5NO2/c1-6(22)7-2-4-8(5-3-7)21-15(23)9-10(16)12(18)14(20)13(19)11(9)17/h2-5H,1H3,(H,21,23)
InChIKey VFDGQANFXOPJNG-UHFFFAOYSA-N
Mol Weight 329.23 g/mol
Molecular Formula C15H8F5NO2
Exact Mass 329.047519 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FSG6ylBvD8t
Name N-(4-Acetylphenyl)-2,3,4,5,6-pentafluorobenzamide
Comments Computed using HOSE algorithm
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Exact Mass 329.047519315 u
Formula C15H8F5NO2
InChI InChI=1S/C15H8F5NO2/c1-6(22)7-2-4-8(5-3-7)21-15(23)9-10(16)12(18)14(20)13(19)11(9)17/h2-5H,1H3,(H,21,23)
InChIKey VFDGQANFXOPJNG-UHFFFAOYSA-N
Molecular Weight 329.226 g/mol
SMILES N(C(C1=C(C(F)=C(C(=C1F)F)F)F)=O)C1=CC=C(C(=O)C)C=C1