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3-(Acridin-9-ylamino)-4-methyl-benzoic acid

View entire compound with spectra: 1 NMR

3-(Acridin-9-ylamino)-4-methyl-benzoic acid
SpectraBase Compound ID APFPEUMZ7Vg
InChI InChI=1S/C21H16N2O2/c1-13-10-11-14(21(24)25)12-19(13)23-20-15-6-2-4-8-17(15)22-18-9-5-3-7-16(18)20/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKey YOKXRIKHPWFNAO-UHFFFAOYSA-N
Mol Weight 328.37 g/mol
Molecular Formula C21H16N2O2
Exact Mass 328.121178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1nYGzVKXRis
Name 3-(Acridin-9-ylamino)-4-methyl-benzoic acid
Comments Computed using HOSE algorithm
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Exact Mass 328.121177761 u
Formula C21H16N2O2
InChI InChI=1S/C21H16N2O2/c1-13-10-11-14(21(24)25)12-19(13)23-20-15-6-2-4-8-17(15)22-18-9-5-3-7-16(18)20/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKey YOKXRIKHPWFNAO-UHFFFAOYSA-N
Molecular Weight 328.371 g/mol
SMILES C1(NC2=CC(C(=O)O)=CC=C2C)=C2C(C=CC=C2)=NC2=C1C=CC=C2