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Benzoic acid, 4-[(dibenzo[A,C]phenazin-11-ylcarbonyl)amino]-, methyl ester
SpectraBase Compound ID LXNakCsc0Jk
InChI InChI=1S/C29H19N3O3/c1-35-29(34)17-10-13-19(14-11-17)30-28(33)18-12-15-24-25(16-18)32-27-23-9-5-3-7-21(23)20-6-2-4-8-22(20)26(27)31-24/h2-16H,1H3,(H,30,33)
InChIKey MOLFOKCAWMAQDS-UHFFFAOYSA-N
Mol Weight 457.49 g/mol
Molecular Formula C29H19N3O3
Exact Mass 457.142641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AobbjBkhf34
Name Benzoic acid, 4-[(dibenzo[A,C]phenazin-11-ylcarbonyl)amino]-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 457.142641481 u
Formula C29H19N3O3
InChI InChI=1S/C29H19N3O3/c1-35-29(34)17-10-13-19(14-11-17)30-28(33)18-12-15-24-25(16-18)32-27-23-9-5-3-7-21(23)20-6-2-4-8-22(20)26(27)31-24/h2-16H,1H3,(H,30,33)
InChIKey MOLFOKCAWMAQDS-UHFFFAOYSA-N
Molecular Weight 457.489 g/mol
SMILES N(C(C=1C=C2N=C3C(=NC2=CC1)C=1C=CC=CC1C1=C3C=CC=C1)=O)C1=CC=C(C(=O)OC)C=C1