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1-(3-Chlorophenyl)-4-{4-[4-(3-chlorophenyl)-1-piperazinyl]-4-oxobutanoyl}piperazine
SpectraBase Compound ID ClfHkdR1WFx
InChI InChI=1S/C24H28Cl2N4O2/c25-19-3-1-5-21(17-19)27-9-13-29(14-10-27)23(31)7-8-24(32)30-15-11-28(12-16-30)22-6-2-4-20(26)18-22/h1-6,17-18H,7-16H2
InChIKey SUHMMKHWOSMCKE-UHFFFAOYSA-N
Mol Weight 475.42 g/mol
Molecular Formula C24H28Cl2N4O2
Exact Mass 474.158932 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EXnBk5dr7eA
Name 1-(3-Chlorophenyl)-4-{4-[4-(3-chlorophenyl)-1-piperazinyl]-4-oxobutanoyl}piperazine
Comments Computed using HOSE algorithm
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Exact Mass 474.158931556 u
Formula C24H28Cl2N4O2
InChI InChI=1S/C24H28Cl2N4O2/c25-19-3-1-5-21(17-19)27-9-13-29(14-10-27)23(31)7-8-24(32)30-15-11-28(12-16-30)22-6-2-4-20(26)18-22/h1-6,17-18H,7-16H2
InChIKey SUHMMKHWOSMCKE-UHFFFAOYSA-N
Molecular Weight 475.420 g/mol
SMILES C=1C=CC(N2CCN(C(CCC(N3CCN(CC3)C3=CC(Cl)=CC=C3)=O)=O)CC2)=CC1Cl