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5-(4-Ketoquinazolin-3-yl)-1-phenyl-pyrazole-4-carboxylic acid ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5-(4-Ketoquinazolin-3-yl)-1-phenyl-pyrazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID 9NB2KEw9kLj
InChI InChI=1S/C20H16N4O3/c1-2-27-20(26)16-12-22-24(14-8-4-3-5-9-14)18(16)23-13-21-17-11-7-6-10-15(17)19(23)25/h3-13H,2H2,1H3
InChIKey DIQBDSRAUNQCCA-UHFFFAOYSA-N
Mol Weight 360.37 g/mol
Molecular Formula C20H16N4O3
Exact Mass 360.12224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BD22nrr8u4Z
Name 5-(4-Ketoquinazolin-3-yl)-1-phenyl-pyrazole-4-carboxylic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.122240388 u
Formula C20H16N4O3
InChI InChI=1S/C20H16N4O3/c1-2-27-20(26)16-12-22-24(14-8-4-3-5-9-14)18(16)23-13-21-17-11-7-6-10-15(17)19(23)25/h3-13H,2H2,1H3
InChIKey DIQBDSRAUNQCCA-UHFFFAOYSA-N
Molecular Weight 360.373 g/mol
SMILES C1(N2C(C=3C=CC=CC3N=C2)=O)=C(C=NN1C=1C=CC=CC1)C(=O)OCC