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2-[5-(4-m-Tolyl-piperazin-1-yl)-pentyl]-isoindole-1,3-dione

View entire compound with spectra: 1 NMR

2-[5-(4-m-Tolyl-piperazin-1-yl)-pentyl]-isoindole-1,3-dione
SpectraBase Compound ID KoL1O260CBl
InChI InChI=1S/C24H29N3O2/c1-19-8-7-9-20(18-19)26-16-14-25(15-17-26)12-5-2-6-13-27-23(28)21-10-3-4-11-22(21)24(27)29/h3-4,7-11,18H,2,5-6,12-17H2,1H3
InChIKey BBGFZGUEECNSTI-UHFFFAOYSA-N
Mol Weight 391.52 g/mol
Molecular Formula C24H29N3O2
Exact Mass 391.225977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IkdChwo4RhK
Name 2-[5-(4-m-Tolyl-piperazin-1-yl)-pentyl]-isoindole-1,3-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.225977184 u
Formula C24H29N3O2
InChI InChI=1S/C24H29N3O2/c1-19-8-7-9-20(18-19)26-16-14-25(15-17-26)12-5-2-6-13-27-23(28)21-10-3-4-11-22(21)24(27)29/h3-4,7-11,18H,2,5-6,12-17H2,1H3
InChIKey BBGFZGUEECNSTI-UHFFFAOYSA-N
Molecular Weight 391.515 g/mol
SMILES C1=2C(N(CCCCCN3CCN(CC3)C3=CC(=CC=C3)C)C(C2C=CC=C1)=O)=O