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N,N'-(3,6-Dioxo-1,4-cyclohexadien-1,4-ylene)dianthranilic acid

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N,N'-(3,6-Dioxo-1,4-cyclohexadien-1,4-ylene)dianthranilic acid
SpectraBase Compound ID 2gjVDC7AFNU
InChI InChI=1S/C20H14N2O6/c23-17-10-16(22-14-8-4-2-6-12(14)20(27)28)18(24)9-15(17)21-13-7-3-1-5-11(13)19(25)26/h1-10,21-22H,(H,25,26)(H,27,28)
InChIKey ZICRATSMKAPMHF-UHFFFAOYSA-N
Mol Weight 378.34 g/mol
Molecular Formula C20H14N2O6
Exact Mass 378.085186 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I1dm8KqhrZL
Name N,N'-(3,6-Dioxo-1,4-cyclohexadien-1,4-ylene)dianthranilic acid
Comments Computed using HOSE algorithm
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Exact Mass 378.085186173 u
Formula C20H14N2O6
InChI InChI=1S/C20H14N2O6/c23-17-10-16(22-14-8-4-2-6-12(14)20(27)28)18(24)9-15(17)21-13-7-3-1-5-11(13)19(25)26/h1-10,21-22H,(H,25,26)(H,27,28)
InChIKey ZICRATSMKAPMHF-UHFFFAOYSA-N
Molecular Weight 378.340 g/mol
SMILES N(C=1C=CC=CC1C(O)=O)C1=CC(C(=CC1=O)NC=1C=CC=CC1C(=O)O)=O