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Ethyl 4-(2-chlorophenyl)-1,3-diphenyl-1H-pyrazolo[3,4-b]pyridine-6-carboxylate
SpectraBase Compound ID E0au9cQniYB
InChI InChI=1S/C27H20ClN3O2/c1-2-33-27(32)23-17-21(20-15-9-10-16-22(20)28)24-25(18-11-5-3-6-12-18)30-31(26(24)29-23)19-13-7-4-8-14-19/h3-17H,2H2,1H3
InChIKey FNZXLMNZFVZYIL-UHFFFAOYSA-N
Mol Weight 453.93 g/mol
Molecular Formula C27H20ClN3O2
Exact Mass 453.124405 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FHbnO8kU8uv
Name Ethyl-4-(2-chlorophenyl)-1,3-diphenyl-1H-pyrazolo[3,4-B]pyridine-6-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 453.124404594 u
Formula C27H20ClN3O2
InChI InChI=1S/C27H20ClN3O2/c1-2-33-27(32)23-17-21(20-15-9-10-16-22(20)28)24-25(18-11-5-3-6-12-18)30-31(26(24)29-23)19-13-7-4-8-14-19/h3-17H,2H2,1H3
InChIKey FNZXLMNZFVZYIL-UHFFFAOYSA-N
Molecular Weight 453.929 g/mol
SMILES C1=2C(=C(C=C(N2)C(=O)OCC)C=2C(=CC=CC2)Cl)C(=NN1C=1C=CC=CC1)C=1C=CC=CC1