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

View entire compound with spectra: 1 NMR

2-[5-(4-o-Tolyl-piperazin-1-yl)-pentyl]-isoindole-1,3-dione
SpectraBase Compound ID BjTukPbIIyn
InChI InChI=1S/C24H29N3O2/c1-19-9-3-6-12-22(19)26-17-15-25(16-18-26)13-7-2-8-14-27-23(28)20-10-4-5-11-21(20)24(27)29/h3-6,9-12H,2,7-8,13-18H2,1H3
InChIKey ORDGDFJLFNLXML-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 JueqfrBPKIl
Name 2-[5-(4-o-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/c1-19-9-3-6-12-22(19)26-17-15-25(16-18-26)13-7-2-8-14-27-23(28)20-10-4-5-11-21(20)24(27)29/h3-6,9-12H,2,7-8,13-18H2,1H3
InChIKey ORDGDFJLFNLXML-UHFFFAOYSA-N
Molecular Weight 391.515 g/mol
SMILES C(CCCN1C(C2=C(C1=O)C=CC=C2)=O)CN1CCN(CC1)C1=CC=CC=C1C