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1-Phenyl-5-(phenylethynyl)-1H-pyrazole-4-carboxylic Acid
SpectraBase Compound ID 3Jwyi9AjnnW
InChI InChI=1S/C18H12N2O2/c21-18(22)16-13-19-20(15-9-5-2-6-10-15)17(16)12-11-14-7-3-1-4-8-14/h1-10,13H,(H,21,22)
InChIKey PPSSYYURLZUJRY-UHFFFAOYSA-N
Mol Weight 288.31 g/mol
Molecular Formula C18H12N2O2
Exact Mass 288.089878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FplHyYPsVm8
Name 1-Phenyl-5-(phenylethynyl)-1H-pyrazole-4-carboxylic Acid
Alternate Name(s) 1-Phenyl-5-(2-phenylethynyl)-4-pyrazolecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12N2O2
InChI InChI=1S/C18H12N2O2/c21-18(22)16-13-19-20(15-9-5-2-6-10-15)17(16)12-11-14-7-3-1-4-8-14/h1-10,13H,(H,21,22)
InChIKey PPSSYYURLZUJRY-UHFFFAOYSA-N
Molecular Weight 288.306 g/mol
SMILES OC(c1c([n](nc1)-c1ccccc1)C#Cc1ccccc1)=O
SPLASH splash10-0550-5590000000-fc5b3225bad565e56cb3
Source of Spectrum U1-2011-1888-13a
Wiley ID 1665056