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2-{3-[4-(2-Chlorophenyl)piperazin-1-yl]propyl}-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID EZlxkUGUoAI
InChI InChI=1S/C21H22ClN3O2/c22-18-8-3-4-9-19(18)24-14-12-23(13-15-24)10-5-11-25-20(26)16-6-1-2-7-17(16)21(25)27/h1-4,6-9H,5,10-15H2
InChIKey NEBWZMKCNDLIND-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 9Z9YyE9tdlg
Name 2-{3-[4-(2-Chlorophenyl)piperazin-1-yl]propyl}-1H-isoindole-1,3(2H)-dione
Comments Computed using HOSE algorithm
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Exact Mass 383.140054658 u
Formula C21H22ClN3O2
InChI InChI=1S/C21H22ClN3O2/c22-18-8-3-4-9-19(18)24-14-12-23(13-15-24)10-5-11-25-20(26)16-6-1-2-7-17(16)21(25)27/h1-4,6-9H,5,10-15H2
InChIKey NEBWZMKCNDLIND-UHFFFAOYSA-N
Molecular Weight 383.879 g/mol
SMILES C1(N(C(C=2C=CC=CC12)=O)CCCN1CCN(CC1)C=1C(=CC=CC1)Cl)=O