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1-[3-Chloro-4-methylphenyl]-4-[2-phthalimidoethyl]piperazine

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

1-[3-Chloro-4-methylphenyl]-4-[2-phthalimidoethyl]piperazine
SpectraBase Compound ID 92ISY0M2e2C
InChI InChI=1S/C21H22ClN3O2/c1-15-6-7-16(14-19(15)22)24-11-8-23(9-12-24)10-13-25-20(26)17-4-2-3-5-18(17)21(25)27/h2-7,14H,8-13H2,1H3
InChIKey DALBIIARTOXBMW-UHFFFAOYSA-N
Mol Weight 383.88 g/mol
Molecular Formula C21H22ClN3O2
Exact Mass 383.140055 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BoHVsJs6MKX
Name 1-[3-Chloro-4-methylphenyl]-4-[2-phthalimidoethyl]piperazine
Comments Computed using HOSE algorithm
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Exact Mass 383.140054658 u
Formula C21H22ClN3O2
InChI InChI=1S/C21H22ClN3O2/c1-15-6-7-16(14-19(15)22)24-11-8-23(9-12-24)10-13-25-20(26)17-4-2-3-5-18(17)21(25)27/h2-7,14H,8-13H2,1H3
InChIKey DALBIIARTOXBMW-UHFFFAOYSA-N
Molecular Weight 383.879 g/mol
SMILES C1=CC=C2C(=C1)C(N(C2=O)CCN1CCN(CC1)C1=CC(=C(C=C1)C)Cl)=O