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N-[2-(4-benzoyl-1-piperazinyl)phenyl]-2,2,2-trichloroacetamide
SpectraBase Compound ID GqeX1EVpAK
InChI InChI=1S/C19H18Cl3N3O2/c20-19(21,22)18(27)23-15-8-4-5-9-16(15)24-10-12-25(13-11-24)17(26)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,23,27)
InChIKey MCGFBDJSJQAZHY-UHFFFAOYSA-N
Mol Weight 426.73 g/mol
Molecular Formula C19H18Cl3N3O2
Exact Mass 425.04646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3CbaQ2GCYFG
Name N-[2-(4-Benzoyl-1-piperazinyl)phenyl]-2,2,2-trichloroacetamide
Comments Computed using HOSE algorithm
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Exact Mass 425.046459930 u
Formula C19H18Cl3N3O2
InChI InChI=1S/C19H18Cl3N3O2/c20-19(21,22)18(27)23-15-8-4-5-9-16(15)24-10-12-25(13-11-24)17(26)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,23,27)
InChIKey MCGFBDJSJQAZHY-UHFFFAOYSA-N
SMILES N(C(C(Cl)(Cl)Cl)=O)C1=C(N2CCN(C(=O)C3=CC=CC=C3)CC2)C=CC=C1