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N-(9,10-dioxo-9,10-dihydro-1-anthracenyl)-1-methyl-1H-pyrazole-3-carboxamide
SpectraBase Compound ID KmphTWl0YPl
InChI InChI=1S/C19H13N3O3/c1-22-10-9-15(21-22)19(25)20-14-8-4-7-13-16(14)18(24)12-6-3-2-5-11(12)17(13)23/h2-10H,1H3,(H,20,25)
InChIKey WVYNZUUHXPIZSY-UHFFFAOYSA-N
Mol Weight 331.33 g/mol
Molecular Formula C19H13N3O3
Exact Mass 331.095691 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B7DyHDXAe7D
Name N-(9,10-Dioxo-9,10-dihydro-1-anthracenyl)-1-methyl-1H-pyrazole-3-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 331.095691288 u
Formula C19H13N3O3
InChI InChI=1S/C19H13N3O3/c1-22-10-9-15(21-22)19(25)20-14-8-4-7-13-16(14)18(24)12-6-3-2-5-11(12)17(13)23/h2-10H,1H3,(H,20,25)
InChIKey WVYNZUUHXPIZSY-UHFFFAOYSA-N
Molecular Weight 331.331 g/mol
SMILES N(C(C1=NN(C)C=C1)=O)C=1C=2C(C=3C=CC=CC3C(C2C=CC1)=O)=O