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Ethyl 1-Phenyl-5-(phenylethynyl)-1H-pyrazole-4-carboxylate
SpectraBase Compound ID EnbDo8GToi6
InChI InChI=1S/C20H16N2O2/c1-2-24-20(23)18-15-21-22(17-11-7-4-8-12-17)19(18)14-13-16-9-5-3-6-10-16/h3-12,15H,2H2,1H3
InChIKey LRZCPEDUUYTIHB-UHFFFAOYSA-N
Mol Weight 316.36 g/mol
Molecular Formula C20H16N2O2
Exact Mass 316.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B5Kn9JnjzGO
Name Ethyl 1-Phenyl-5-(phenylethynyl)-1H-pyrazole-4-carboxylate
Alternate Name(s) 1-Phenyl-5-(2-phenylethynyl)-4-pyrazolecarboxylic acid ethyl ester Ethyl 1-phenyl-5-(2-phenylethynyl)pyrazole-4-carboxylate
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Formula C20H16N2O2
InChI InChI=1S/C20H16N2O2/c1-2-24-20(23)18-15-21-22(17-11-7-4-8-12-17)19(18)14-13-16-9-5-3-6-10-16/h3-12,15H,2H2,1H3
InChIKey LRZCPEDUUYTIHB-UHFFFAOYSA-N
Molecular Weight 316.360 g/mol
SMILES c1(c(cn[n]1-c1ccccc1)C(=O)OCC)C#Cc1ccccc1
SPLASH splash10-0abc-9010000000-9354a84945e41e0656eb
Source of Spectrum U1-2011-1885-3a
Wiley ID 1665077