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(E)-3,5-Di-p-tolyl-1-(3,3,3-trifluoroprop-1-en-1-yl)-1H-pyrazole
SpectraBase Compound ID 60VfJ2Mlfup
InChI InChI=1S/C20H17F3N2/c1-14-3-7-16(8-4-14)18-13-19(17-9-5-15(2)6-10-17)25(24-18)12-11-20(21,22)23/h3-13H,1-2H3/b12-11+
InChIKey GUTBPSFIXDCZBX-VAWYXSNFSA-N
Mol Weight 342.37 g/mol
Molecular Formula C20H17F3N2
Exact Mass 342.134383 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQjyUXceW
Name (E)-3,5-Di-p-tolyl-1-(3,3,3-trifluoroprop-1-en-1-yl)-1H-pyrazole
Appearance White powder
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.134383044 u
Formula C20H17F3N2
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C20H17F3N2/c1-14-3-7-16(8-4-14)18-13-19(17-9-5-15(2)6-10-17)25(24-18)12-11-20(21,22)23/h3-13H,1-2H3/b12-11+
InChIKey GUTBPSFIXDCZBX-VAWYXSNFSA-N
Instrument Name Agilent 6890N-Agilent 5973
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.202102840
Molecular Weight 342.365 g/mol
Quality 300
Reported Formula C20H17N2F3
SMILES C1(=CC=C(C=C1)C)C1=CC(=NN1\C=C\C(F)(F)F)C1=CC=C(C=C1)C
SPLASH splash10-00kf-9436000000-f445b9b1e35d43c0b24e
Source of Spectrum QE-27-SM21-8 (DOI: 10.1002/chem.202102840)
Thin-Layer Chromatography 0.88 (hexanes/EtOAc, 2:1)
Wiley ID 1904260