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N-[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl]-4-methylbenzamide

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N-[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl]-4-methylbenzamide
SpectraBase Compound ID 3HcOjE0uj2n
InChI InChI=1S/C26H18N2O3/c1-16-8-10-18(11-9-16)24(29)27-19-12-14-20(15-13-19)28-25(30)21-6-2-4-17-5-3-7-22(23(17)21)26(28)31/h2-15H,1H3,(H,27,29)
InChIKey XZHOZESPTUTTBB-UHFFFAOYSA-N
Mol Weight 406.44 g/mol
Molecular Formula C26H18N2O3
Exact Mass 406.131742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IbFhdp99if5
Name N-[4-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)phenyl]-4-methylbenzamide
Comments Computed using HOSE algorithm
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Exact Mass 406.131742445 u
Formula C26H18N2O3
InChI InChI=1S/C26H18N2O3/c1-16-8-10-18(11-9-16)24(29)27-19-12-14-20(15-13-19)28-25(30)21-6-2-4-17-5-3-7-22(23(17)21)26(28)31/h2-15H,1H3,(H,27,29)
InChIKey XZHOZESPTUTTBB-UHFFFAOYSA-N
Molecular Weight 406.441 g/mol
SMILES N(C(C1=CC=C(C=C1)C)=O)C=1C=CC(N2C(C=3C=CC=C4C3C(C2=O)=CC=C4)=O)=CC1