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2-[2-(benzyloxy)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
SpectraBase Compound ID 4Z7nTPoneLb
InChI InChI=1S/C21H17NO3/c23-20-17-10-4-8-16-9-5-11-18(19(16)17)21(24)22(20)12-13-25-14-15-6-2-1-3-7-15/h1-11H,12-14H2
InChIKey CQAXZOWZXLYASA-UHFFFAOYSA-N
Mol Weight 331.37 g/mol
Molecular Formula C21H17NO3
Exact Mass 331.120843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BfRmPdr6QSL
Name 2-[2-(Benzyloxy)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.120843408 u
Formula C21H17NO3
InChI InChI=1S/C21H17NO3/c23-20-17-10-4-8-16-9-5-11-18(19(16)17)21(24)22(20)12-13-25-14-15-6-2-1-3-7-15/h1-11H,12-14H2
InChIKey CQAXZOWZXLYASA-UHFFFAOYSA-N
Molecular Weight 331.371 g/mol
SMILES C=1C=CC(COCCN2C(C=3C=CC=C4C3C(C2=O)=CC=C4)=O)=CC1