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

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2-[6-(4-o-Tolyl-piperazin-1-yl)-hexyl]-isoindole-1,3-dione
SpectraBase Compound ID 7AYCuy8nRJW
InChI InChI=1S/C25H31N3O2/c1-20-10-4-7-13-23(20)27-18-16-26(17-19-27)14-8-2-3-9-15-28-24(29)21-11-5-6-12-22(21)25(28)30/h4-7,10-13H,2-3,8-9,14-19H2,1H3
InChIKey WUHLHFFYNKCVAD-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 1hEhipPagsf
Name 2-[6-(4-o-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/c1-20-10-4-7-13-23(20)27-18-16-26(17-19-27)14-8-2-3-9-15-28-24(29)21-11-5-6-12-22(21)25(28)30/h4-7,10-13H,2-3,8-9,14-19H2,1H3
InChIKey WUHLHFFYNKCVAD-UHFFFAOYSA-N
Molecular Weight 405.542 g/mol
SMILES C(CCCCN1C(C2=C(C1=O)C=CC=C2)=O)CN1CCN(CC1)C1=C(C=CC=C1)C