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4-{2-[4-(4-Chlorophenyl)-1-piperazinyl]-2-oxoethoxy}benzonitrile

View entire compound with spectra: 2 NMR

4-{2-[4-(4-Chlorophenyl)-1-piperazinyl]-2-oxoethoxy}benzonitrile
SpectraBase Compound ID 8CNyWmLAgYu
InChI InChI=1S/C19H18ClN3O2/c20-16-3-5-17(6-4-16)22-9-11-23(12-10-22)19(24)14-25-18-7-1-15(13-21)2-8-18/h1-8H,9-12,14H2
InChIKey ZOZDQXZQNKEDHS-UHFFFAOYSA-N
Mol Weight 355.83 g/mol
Molecular Formula C19H18ClN3O2
Exact Mass 355.108755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7M1Kx3mmPCn
Name 4-{2-[4-(4-Chlorophenyl)-1-piperazinyl]-2-oxoethoxy}benzonitrile
Comments Computed using HOSE algorithm
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Exact Mass 355.108754530 u
Formula C19H18ClN3O2
InChI InChI=1S/C19H18ClN3O2/c20-16-3-5-17(6-4-16)22-9-11-23(12-10-22)19(24)14-25-18-7-1-15(13-21)2-8-18/h1-8H,9-12,14H2
InChIKey ZOZDQXZQNKEDHS-UHFFFAOYSA-N
Molecular Weight 355.825 g/mol
SMILES C1=CC(C#N)=CC=C1OCC(N1CCN(C=2C=CC(=CC2)Cl)CC1)=O