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

View entire compound with spectra: 1 NMR

2-[4-(4-o-Tolyl-piperazin-1-yl)-butyl]-isoindole-1,3-dione
SpectraBase Compound ID A6EFsdtrj2G
InChI InChI=1S/C23H27N3O2/c1-18-8-2-5-11-21(18)25-16-14-24(15-17-25)12-6-7-13-26-22(27)19-9-3-4-10-20(19)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
InChIKey IRWREICCWQAJJF-UHFFFAOYSA-N
Mol Weight 377.49 g/mol
Molecular Formula C23H27N3O2
Exact Mass 377.210327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ICmbUZyFhy
Name 2-[4-(4-o-Tolyl-piperazin-1-yl)-butyl]-isoindole-1,3-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 377.210327119 u
Formula C23H27N3O2
InChI InChI=1S/C23H27N3O2/c1-18-8-2-5-11-21(18)25-16-14-24(15-17-25)12-6-7-13-26-22(27)19-9-3-4-10-20(19)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
InChIKey IRWREICCWQAJJF-UHFFFAOYSA-N
Molecular Weight 377.488 g/mol
SMILES C(CN1CCN(CC1)C1=CC=CC=C1C)CCN1C(C2=C(C1=O)C=CC=C2)=O