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1,4-bis(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)butane

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1,4-bis(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)butane
SpectraBase Compound ID 5fdTreiYNvo
InChI InChI=1S/C28H20N2O4/c31-25-19-11-3-7-17-8-4-12-20(23(17)19)26(32)29(25)15-1-2-16-30-27(33)21-13-5-9-18-10-6-14-22(24(18)21)28(30)34/h3-14H,1-2,15-16H2
InChIKey JCQSEAVYVYSHSU-UHFFFAOYSA-N
Mol Weight 448.48 g/mol
Molecular Formula C28H20N2O4
Exact Mass 448.142307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID b0d8NcRVBC
Name 1,4-bis(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)butane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.142307128 u
Formula C28H20N2O4
InChI InChI=1S/C28H20N2O4/c31-25-19-11-3-7-17-8-4-12-20(23(17)19)26(32)29(25)15-1-2-16-30-27(33)21-13-5-9-18-10-6-14-22(24(18)21)28(30)34/h3-14H,1-2,15-16H2
InChIKey JCQSEAVYVYSHSU-UHFFFAOYSA-N
Molecular Weight 448.478 g/mol
SMILES C1=CC=2C(N(CCCCN3C(C4=CC=CC5=C4C(=CC=C5)C3=O)=O)C(C=3C2C(=C1)C=CC3)=O)=O