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1-[4-(3-oxo-3-Phenylpropionyl)-piperazin-1-yl]-3-phenylpropan-1,3-dione
SpectraBase Compound ID 1vzldbLk2HA
InChI InChI=1S/C22H22N2O4/c25-19(17-7-3-1-4-8-17)15-21(27)23-11-13-24(14-12-23)22(28)16-20(26)18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKey HOBZEFQWZFBLOD-UHFFFAOYSA-N
Mol Weight 378.43 g/mol
Molecular Formula C22H22N2O4
Exact Mass 378.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aa6Nl0sdfSH
Name 1-[4-(3-oxo-3-Phenylpropionyl)-piperazin-1-yl]-3-phenylpropan-1,3-dione
Comments Computed using HOSE algorithm
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Exact Mass 378.157957192 u
Formula C22H22N2O4
InChI InChI=1S/C22H22N2O4/c25-19(17-7-3-1-4-8-17)15-21(27)23-11-13-24(14-12-23)22(28)16-20(26)18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKey HOBZEFQWZFBLOD-UHFFFAOYSA-N
Molecular Weight 378.428 g/mol
SMILES C(=O)(CC(=O)N1CCN(CC1)C(CC(C1=CC=CC=C1)=O)=O)C1=CC=CC=C1