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Methyl 2-(((8-acetoxyquinolin-7-yl)(phenyl)methyl)amino)benzoate
SpectraBase Compound ID 86TFS2ZFxtF
InChI InChI=1S/C26H22N2O4/c1-17(29)32-25-21(15-14-19-11-8-16-27-24(19)25)23(18-9-4-3-5-10-18)28-22-13-7-6-12-20(22)26(30)31-2/h3-16,23,28H,1-2H3
InChIKey JMBAHBKTZRDDLD-UHFFFAOYSA-N
Mol Weight 426.47 g/mol
Molecular Formula C26H22N2O4
Exact Mass 426.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID upe0D8mYkN
Name Methyl 2-(((8-acetoxyquinolin-7-yl)(phenyl)methyl)amino)benzoate
Comments Computed using HOSE algorithm
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Exact Mass 426.157957192 u
Formula C26H22N2O4
InChI InChI=1S/C26H22N2O4/c1-17(29)32-25-21(15-14-19-11-8-16-27-24(19)25)23(18-9-4-3-5-10-18)28-22-13-7-6-12-20(22)26(30)31-2/h3-16,23,28H,1-2H3
InChIKey JMBAHBKTZRDDLD-UHFFFAOYSA-N
Molecular Weight 426.472 g/mol
SMILES C(C1=C(C=CC=C1)NC(C1=CC=CC=C1)C=1C(=C2N=CC=CC2=CC1)OC(C)=O)(=O)OC