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5-(4-Keto-2-phenyl-quinazolin-3-yl)-1-phenyl-pyrazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID 98DekG87Jtr
InChI InChI=1S/C26H20N4O3/c1-2-33-26(32)21-17-27-30(19-13-7-4-8-14-19)24(21)29-23(18-11-5-3-6-12-18)28-22-16-10-9-15-20(22)25(29)31/h3-17H,2H2,1H3
InChIKey YNXOMHNEULTPOT-UHFFFAOYSA-N
Mol Weight 436.47 g/mol
Molecular Formula C26H20N4O3
Exact Mass 436.153541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gd8ZUOkiZ5c
Name 5-(4-Keto-2-phenyl-quinazolin-3-yl)-1-phenyl-pyrazole-4-carboxylic acid ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.153540517 u
Formula C26H20N4O3
InChI InChI=1S/C26H20N4O3/c1-2-33-26(32)21-17-27-30(19-13-7-4-8-14-19)24(21)29-23(18-11-5-3-6-12-18)28-22-16-10-9-15-20(22)25(29)31/h3-17H,2H2,1H3
InChIKey YNXOMHNEULTPOT-UHFFFAOYSA-N
Molecular Weight 436.471 g/mol
SMILES C1(N2C(=NC3=C(C2=O)C=CC=C3)C=2C=CC=CC2)=C(C=NN1C1=CC=CC=C1)C(=O)OCC