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1,3-benzodioxol-5-ylmethyl (1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate

View entire compound with spectra: 2 NMR

1,3-benzodioxol-5-ylmethyl (1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate
SpectraBase Compound ID BFTXbb34mjG
InChI InChI=1S/C22H15NO6/c24-19(27-11-13-7-8-17-18(9-13)29-12-28-17)10-23-21(25)15-5-1-3-14-4-2-6-16(20(14)15)22(23)26/h1-9H,10-12H2
InChIKey NEGKSKWCJMLOHA-UHFFFAOYSA-N
Mol Weight 389.36 g/mol
Molecular Formula C22H15NO6
Exact Mass 389.089937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G5UIzFlkeOX
Name 1,3-Benzodioxol-5-ylmethyl (1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 389.089937201 u
Formula C22H15NO6
InChI InChI=1S/C22H15NO6/c24-19(27-11-13-7-8-17-18(9-13)29-12-28-17)10-23-21(25)15-5-1-3-14-4-2-6-16(20(14)15)22(23)26/h1-9H,10-12H2
InChIKey NEGKSKWCJMLOHA-UHFFFAOYSA-N
Molecular Weight 389.363 g/mol
SMILES C1=CC=C2C(N(C(C3=CC=CC1=C23)=O)CC(OCC=1C=C2OCOC2=CC1)=O)=O