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2-[7-oxo-7-(3-phenyl-1-pyrrolidinyl)heptyl]-1H-isoindole-1,3(2H)-dione

View entire compound with spectra: 2 NMR

2-[7-oxo-7-(3-phenyl-1-pyrrolidinyl)heptyl]-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID C5uqBzYitDu
InChI InChI=1S/C25H28N2O3/c28-23(26-17-15-20(18-26)19-10-4-3-5-11-19)14-6-1-2-9-16-27-24(29)21-12-7-8-13-22(21)25(27)30/h3-5,7-8,10-13,20H,1-2,6,9,14-18H2
InChIKey OIIQPABANDREIT-UHFFFAOYSA-N
Mol Weight 404.51 g/mol
Molecular Formula C25H28N2O3
Exact Mass 404.209993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9cucjbGTurD
Name 2-[7-oxo-7-(3-Phenyl-1-pyrrolidinyl)heptyl]-1H-isoindole-1,3(2H)-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.209992767 u
Formula C25H28N2O3
InChI InChI=1S/C25H28N2O3/c28-23(26-17-15-20(18-26)19-10-4-3-5-11-19)14-6-1-2-9-16-27-24(29)21-12-7-8-13-22(21)25(27)30/h3-5,7-8,10-13,20H,1-2,6,9,14-18H2
InChIKey OIIQPABANDREIT-UHFFFAOYSA-N
Molecular Weight 404.510 g/mol
SMILES C=1C=CC(C2CN(C(CCCCCCN3C(C4=CC=CC=C4C3=O)=O)=O)CC2)=CC1