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2-(7-hexahydro-1H-azepin-1-yl-7-oxoheptyl)-1H-isoindole-1,3(2H)-dione

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2-(7-hexahydro-1H-azepin-1-yl-7-oxoheptyl)-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID AQRh8G5pRYz
InChI InChI=1S/C21H28N2O3/c24-19(22-14-8-3-4-9-15-22)13-5-1-2-10-16-23-20(25)17-11-6-7-12-18(17)21(23)26/h6-7,11-12H,1-5,8-10,13-16H2
InChIKey LDAFJXXORHADTD-UHFFFAOYSA-N
Mol Weight 356.47 g/mol
Molecular Formula C21H28N2O3
Exact Mass 356.209993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 81dbHuJHXnf
Name 2-(7-Hexahydro-1H-azepin-1-yl-7-oxoheptyl)-1H-isoindole-1,3(2H)-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.209992767 u
Formula C21H28N2O3
InChI InChI=1S/C21H28N2O3/c24-19(22-14-8-3-4-9-15-22)13-5-1-2-10-16-23-20(25)17-11-6-7-12-18(17)21(23)26/h6-7,11-12H,1-5,8-10,13-16H2
InChIKey LDAFJXXORHADTD-UHFFFAOYSA-N
Molecular Weight 356.466 g/mol
SMILES C1CCN(C(CCCCCCN2C(C3=CC=CC=C3C2=O)=O)=O)CCC1