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Ethyl 1-Phenyl-5-(3-thienylethynyl)-1H-pyrazole-4-carboxylate
SpectraBase Compound ID 7qy3So102F5
InChI InChI=1S/C18H14N2O2S/c1-2-22-18(21)16-12-19-20(15-6-4-3-5-7-15)17(16)9-8-14-10-11-23-13-14/h3-7,10-13H,2H2,1H3
InChIKey QURYLKWOBYIRFJ-UHFFFAOYSA-N
Mol Weight 322.38 g/mol
Molecular Formula C18H14N2O2S
Exact Mass 322.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5el2gYu07f
Name Ethyl 1-Phenyl-5-(3-thienylethynyl)-1H-pyrazole-4-carboxylate
Alternate Name(s) 1-Phenyl-5-[2-(3-thiophenyl)ethynyl]-4-pyrazolecarboxylic acid ethyl ester Ethyl 1-phenyl-5-[2-(3-thienyl)ethynyl]pyrazole-4-carboxylate Ethyl 1-phenyl-5-(2-thiophen-3-ylethynyl)pyrazole-4-carboxylate
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Formula C18H14N2O2S
InChI InChI=1S/C18H14N2O2S/c1-2-22-18(21)16-12-19-20(15-6-4-3-5-7-15)17(16)9-8-14-10-11-23-13-14/h3-7,10-13H,2H2,1H3
InChIKey QURYLKWOBYIRFJ-UHFFFAOYSA-N
Molecular Weight 322.382 g/mol
SMILES c1(c(cn[n]1-c1ccccc1)C(=O)OCC)C#Cc1cscc1
SPLASH splash10-00bc-4195000000-d5dbfcfce4ece8c79088
Source of Spectrum U1-2011-1885-3b
Wiley ID 1665076