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1-[3-Chloro-4-methylphenyl]-4-phthalimidoacetyl piperazine

View entire compound with spectra: 1 NMR, and 1 FTIR

1-[3-Chloro-4-methylphenyl]-4-phthalimidoacetyl piperazine
SpectraBase Compound ID 8qKnIu1X049
InChI InChI=1S/C21H20ClN3O3/c1-14-6-7-15(12-18(14)22)23-8-10-24(11-9-23)19(26)13-25-20(27)16-4-2-3-5-17(16)21(25)28/h2-7,12H,8-11,13H2,1H3
InChIKey KABIFNDMOKWATE-UHFFFAOYSA-N
Mol Weight 397.86 g/mol
Molecular Formula C21H20ClN3O3
Exact Mass 397.119319 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8e68uHe9e8f
Name 1-[3-Chloro-4-methylphenyl]-4-phthalimidoacetyl piperazine
Comments Computed using HOSE algorithm
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Exact Mass 397.119319213 u
Formula C21H20ClN3O3
InChI InChI=1S/C21H20ClN3O3/c1-14-6-7-15(12-18(14)22)23-8-10-24(11-9-23)19(26)13-25-20(27)16-4-2-3-5-17(16)21(25)28/h2-7,12H,8-11,13H2,1H3
InChIKey KABIFNDMOKWATE-UHFFFAOYSA-N
Molecular Weight 397.862 g/mol
SMILES C1=CC=C2C(=C1)C(N(C2=O)CC(N1CCN(CC1)C1=CC(=C(C=C1)C)Cl)=O)=O