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N-(4-{[(1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]methyl}phenyl)acetamide
SpectraBase Compound ID GbaaGcWkvg2
InChI InChI=1S/C19H16N2O3/c1-12(22)21-14-8-6-13(7-9-14)11-20-17-10-18(23)15-4-2-3-5-16(15)19(17)24/h2-10,20H,11H2,1H3,(H,21,22)
InChIKey NZEJZODWMMZAEY-UHFFFAOYSA-N
Mol Weight 320.35 g/mol
Molecular Formula C19H16N2O3
Exact Mass 320.116092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H3D9j46c5NX
Name N-(4-{[(1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]methyl}phenyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 320.116092380 u
Formula C19H16N2O3
InChI InChI=1S/C19H16N2O3/c1-12(22)21-14-8-6-13(7-9-14)11-20-17-10-18(23)15-4-2-3-5-16(15)19(17)24/h2-10,20H,11H2,1H3,(H,21,22)
InChIKey NZEJZODWMMZAEY-UHFFFAOYSA-N
Molecular Weight 320.348 g/mol
SMILES C1=CC=CC2=C1C(C=C(C2=O)NCC1=CC=C(C=C1)NC(C)=O)=O