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4-[(4-Benzoyl-1-piperazinyl)carbonyl]-1-(4-methoxyphenyl)-2-pyrrolidinone
SpectraBase Compound ID 7WBOAhVmA3M
InChI InChI=1S/C23H25N3O4/c1-30-20-9-7-19(8-10-20)26-16-18(15-21(26)27)23(29)25-13-11-24(12-14-25)22(28)17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3
InChIKey NCXQFEDJKCESMZ-UHFFFAOYSA-N
Mol Weight 407.47 g/mol
Molecular Formula C23H25N3O4
Exact Mass 407.184506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BawjuwqJoPH
Name 4-[(4-Benzoyl-1-piperazinyl)carbonyl]-1-(4-methoxyphenyl)-2-pyrrolidinone
Comments Computed using HOSE algorithm
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Exact Mass 407.184506293 u
Formula C23H25N3O4
InChI InChI=1S/C23H25N3O4/c1-30-20-9-7-19(8-10-20)26-16-18(15-21(26)27)23(29)25-13-11-24(12-14-25)22(28)17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3
InChIKey NCXQFEDJKCESMZ-UHFFFAOYSA-N
Molecular Weight 407.470 g/mol
SMILES C=1C=CC(C(N2CCN(C(C3CN(C(C3)=O)C3=CC=C(C=C3)OC)=O)CC2)=O)=CC1