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1-Methyl-5-(4-oxo-2-phenyl-3-quinazolinyl)-4-pyrazolecarboxylic acid ethyl ester

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

1-Methyl-5-(4-oxo-2-phenyl-3-quinazolinyl)-4-pyrazolecarboxylic acid ethyl ester
SpectraBase Compound ID 3NyN5mvMNcR
InChI InChI=1S/C21H18N4O3/c1-3-28-21(27)16-13-22-24(2)19(16)25-18(14-9-5-4-6-10-14)23-17-12-8-7-11-15(17)20(25)26/h4-13H,3H2,1-2H3
InChIKey ULPPPEWVPWETHE-UHFFFAOYSA-N
Mol Weight 374.4 g/mol
Molecular Formula C21H18N4O3
Exact Mass 374.13789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FdNCSEtmmtT
Name 1-Methyl-5-(4-oxo-2-phenyl-3-quinazolinyl)-4-pyrazolecarboxylic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.137890453 u
Formula C21H18N4O3
InChI InChI=1S/C21H18N4O3/c1-3-28-21(27)16-13-22-24(2)19(16)25-18(14-9-5-4-6-10-14)23-17-12-8-7-11-15(17)20(25)26/h4-13H,3H2,1-2H3
InChIKey ULPPPEWVPWETHE-UHFFFAOYSA-N
Molecular Weight 374.400 g/mol
SMILES C1(N2C(=NC3=C(C2=O)C=CC=C3)C=2C=CC=CC2)=C(C=NN1C)C(=O)OCC