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Ethyl 1-phenyl-3-(phenylethynyl)-1H-pyrazole-4-carboxylate

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

Ethyl 1-phenyl-3-(phenylethynyl)-1H-pyrazole-4-carboxylate
SpectraBase Compound ID B3YoE72qadG
InChI InChI=1S/C20H16N2O2/c1-2-24-20(23)18-15-22(17-11-7-4-8-12-17)21-19(18)14-13-16-9-5-3-6-10-16/h3-12,15H,2H2,1H3
InChIKey NUDFPYWVGVBTHJ-UHFFFAOYSA-N
Mol Weight 316.36 g/mol
Molecular Formula C20H16N2O2
Exact Mass 316.121178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4SG6immPQcK
Name Ethyl 1-phenyl-3-(phenylethynyl)-1H-pyrazole-4-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 316.121177761 u
Formula C20H16N2O2
InChI InChI=1S/C20H16N2O2/c1-2-24-20(23)18-15-22(17-11-7-4-8-12-17)21-19(18)14-13-16-9-5-3-6-10-16/h3-12,15H,2H2,1H3
InChIKey NUDFPYWVGVBTHJ-UHFFFAOYSA-N
Molecular Weight 316.360 g/mol
SMILES C=1(C(=NN(C1)C=1C=CC=CC1)C#CC=1C=CC=CC1)C(=O)OCC