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3-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-N-(4-methoxy-phenyl)-propionamide
SpectraBase Compound ID EAEodIC4U6M
InChI InChI=1S/C22H18N2O4/c1-28-16-10-8-15(9-11-16)23-19(25)12-13-24-21(26)17-6-2-4-14-5-3-7-18(20(14)17)22(24)27/h2-11H,12-13H2,1H3,(H,23,25)
InChIKey SLLSVPUQNRHSIT-UHFFFAOYSA-N
Mol Weight 374.4 g/mol
Molecular Formula C22H18N2O4
Exact Mass 374.126657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JehjQllUGvT
Name 3-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-N-(4-methoxy-phenyl)-propionamide
Comments Computed using HOSE algorithm
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Exact Mass 374.126657064 u
Formula C22H18N2O4
InChI InChI=1S/C22H18N2O4/c1-28-16-10-8-15(9-11-16)23-19(25)12-13-24-21(26)17-6-2-4-14-5-3-7-18(20(14)17)22(24)27/h2-11H,12-13H2,1H3,(H,23,25)
InChIKey SLLSVPUQNRHSIT-UHFFFAOYSA-N
Molecular Weight 374.396 g/mol
SMILES C1=CC2=C3C(=C1)C(=O)N(CCC(NC1=CC=C(C=C1)OC)=O)C(C3=CC=C2)=O