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5-(2-Ethyl-4-keto-quinazolin-3-yl)-1-methyl-pyrazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID F1tDjzh4m19
InChI InChI=1S/C17H18N4O3/c1-4-14-19-13-9-7-6-8-11(13)16(22)21(14)15-12(10-18-20(15)3)17(23)24-5-2/h6-10H,4-5H2,1-3H3
InChIKey JDNCODGUJTXTPI-UHFFFAOYSA-N
Mol Weight 326.36 g/mol
Molecular Formula C17H18N4O3
Exact Mass 326.13789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CJK3o7sLuqC
Name 5-(2-Ethyl-4-keto-quinazolin-3-yl)-1-methyl-pyrazole-4-carboxylic acid ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 326.137890453 u
Formula C17H18N4O3
InChI InChI=1S/C17H18N4O3/c1-4-14-19-13-9-7-6-8-11(13)16(22)21(14)15-12(10-18-20(15)3)17(23)24-5-2/h6-10H,4-5H2,1-3H3
InChIKey JDNCODGUJTXTPI-UHFFFAOYSA-N
Molecular Weight 326.356 g/mol
SMILES C1(N2C(C=3C=CC=CC3N=C2CC)=O)=C(C=NN1C)C(=O)OCC