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2-[6-(4-m-Tolyl-piperazin-1-yl)-hexyl]-isoindole-1,3-dione

View entire compound with spectra: 1 NMR

2-[6-(4-m-Tolyl-piperazin-1-yl)-hexyl]-isoindole-1,3-dione
SpectraBase Compound ID 65TIya7HNH3
InChI InChI=1S/C25H31N3O2/c1-20-9-8-10-21(19-20)27-17-15-26(16-18-27)13-6-2-3-7-14-28-24(29)22-11-4-5-12-23(22)25(28)30/h4-5,8-12,19H,2-3,6-7,13-18H2,1H3
InChIKey LUOZPTGAEIEFEA-UHFFFAOYSA-N
Mol Weight 405.54 g/mol
Molecular Formula C25H31N3O2
Exact Mass 405.241627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6NpyvctsaJI
Name 2-[6-(4-m-Tolyl-piperazin-1-yl)-hexyl]-isoindole-1,3-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.241627248 u
Formula C25H31N3O2
InChI InChI=1S/C25H31N3O2/c1-20-9-8-10-21(19-20)27-17-15-26(16-18-27)13-6-2-3-7-14-28-24(29)22-11-4-5-12-23(22)25(28)30/h4-5,8-12,19H,2-3,6-7,13-18H2,1H3
InChIKey LUOZPTGAEIEFEA-UHFFFAOYSA-N
Molecular Weight 405.542 g/mol
SMILES C(CCCCN1C(C2=C(C1=O)C=CC=C2)=O)CN1CCN(CC1)C1=CC(=CC=C1)C