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

View entire compound with spectra: 1 NMR

3-(Acridin-9-ylamino)-benzoic acid methyl ester
SpectraBase Compound ID EjlsEf1xP9Z
InChI InChI=1S/C21H16N2O2/c1-25-21(24)14-7-6-8-15(13-14)22-20-16-9-2-4-11-18(16)23-19-12-5-3-10-17(19)20/h2-13H,1H3,(H,22,23)
InChIKey TZJLENNFVCREIZ-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 3mA7zB9iJAG
Name 3-(Acridin-9-ylamino)-benzoic acid methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 328.121177761 u
Formula C21H16N2O2
InChI InChI=1S/C21H16N2O2/c1-25-21(24)14-7-6-8-15(13-14)22-20-16-9-2-4-11-18(16)23-19-12-5-3-10-17(19)20/h2-13H,1H3,(H,22,23)
InChIKey TZJLENNFVCREIZ-UHFFFAOYSA-N
Molecular Weight 328.371 g/mol
SMILES C1(=C2C(=NC3=C1C=CC=C3)C=CC=C2)NC1=CC(C(=O)OC)=CC=C1