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1H-pyrazole-3-carboxylic acid, 1-(4-ethoxyphenyl)-5-phenyl-, ethyl ester

View entire compound with spectra: 2 NMR

1H-pyrazole-3-carboxylic acid, 1-(4-ethoxyphenyl)-5-phenyl-, ethyl ester
SpectraBase Compound ID FQtwwQK4W4d
InChI InChI=1S/C20H20N2O3/c1-3-24-17-12-10-16(11-13-17)22-19(15-8-6-5-7-9-15)14-18(21-22)20(23)25-4-2/h5-14H,3-4H2,1-2H3
InChIKey JDUWUGMVSDCGRH-UHFFFAOYSA-N
Mol Weight 336.39 g/mol
Molecular Formula C20H20N2O3
Exact Mass 336.147393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ZXSbidQaem
Name 1H-Pyrazole-3-carboxylic acid, 1-(4-ethoxyphenyl)-5-phenyl-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 336.147392509 u
Formula C20H20N2O3
InChI InChI=1S/C20H20N2O3/c1-3-24-17-12-10-16(11-13-17)22-19(15-8-6-5-7-9-15)14-18(21-22)20(23)25-4-2/h5-14H,3-4H2,1-2H3
InChIKey JDUWUGMVSDCGRH-UHFFFAOYSA-N
Molecular Weight 336.391 g/mol
SMILES C1=CC=C(C=2N(N=C(C2)C(=O)OCC)C2=CC=C(C=C2)OCC)C=C1