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N-(9,10-dioxo-9,10-dihydro-1-anthracenyl)isonicotinamide

View entire compound with spectra: 2 NMR

N-(9,10-dioxo-9,10-dihydro-1-anthracenyl)isonicotinamide
SpectraBase Compound ID L2Q2CaTVCAl
InChI InChI=1S/C20H12N2O3/c23-18-13-4-1-2-5-14(13)19(24)17-15(18)6-3-7-16(17)22-20(25)12-8-10-21-11-9-12/h1-11H,(H,22,25)
InChIKey MFKOQZXSAKHKQH-UHFFFAOYSA-N
Mol Weight 328.33 g/mol
Molecular Formula C20H12N2O3
Exact Mass 328.084792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID dBU1K406V7
Name N-(9,10-Dioxo-9,10-dihydro-1-anthracenyl)isonicotinamide
Comments Computed using HOSE algorithm
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Exact Mass 328.084792251 u
Formula C20H12N2O3
InChI InChI=1S/C20H12N2O3/c23-18-13-4-1-2-5-14(13)19(24)17-15(18)6-3-7-16(17)22-20(25)12-8-10-21-11-9-12/h1-11H,(H,22,25)
InChIKey MFKOQZXSAKHKQH-UHFFFAOYSA-N
Molecular Weight 328.327 g/mol
SMILES N(C=1C=2C(C3=CC=CC=C3C(C2C=CC1)=O)=O)C(=O)C1=CC=NC=C1