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1-[3-Chloro-4-methylphenyl]-4-[.beta.-phthalimidopropionyl]piperazine

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

1-[3-Chloro-4-methylphenyl]-4-[.beta.-phthalimidopropionyl]piperazine
SpectraBase Compound ID 4zfnADQm2xq
InChI InChI=1S/C22H22ClN3O3/c1-15-6-7-16(14-19(15)23)24-10-12-25(13-11-24)20(27)8-9-26-21(28)17-4-2-3-5-18(17)22(26)29/h2-7,14H,8-13H2,1H3
InChIKey KZRDXJKUNZGQIP-UHFFFAOYSA-N
Mol Weight 411.89 g/mol
Molecular Formula C22H22ClN3O3
Exact Mass 411.134969 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3uwbUjy8Oj5
Name 1-[3-Chloro-4-methylphenyl]-4-[.beta.-phthalimidopropionyl]piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.134969277 u
Formula C22H22ClN3O3
InChI InChI=1S/C22H22ClN3O3/c1-15-6-7-16(14-19(15)23)24-10-12-25(13-11-24)20(27)8-9-26-21(28)17-4-2-3-5-18(17)22(26)29/h2-7,14H,8-13H2,1H3
InChIKey KZRDXJKUNZGQIP-UHFFFAOYSA-N
Molecular Weight 411.889 g/mol
SMILES C(N1CCN(CC1)C1=CC(Cl)=C(C=C1)C)(CCN1C(C2=CC=CC=C2C1=O)=O)=O