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(E)-3,5-Bis(4-methoxyphenyl)-1-(3,3,3-trifluoroprop-1-en-1-yl)-1H-pyrazole
SpectraBase Compound ID Jd2XzLLh73x
InChI InChI=1S/C20H17F3N2O2/c1-26-16-7-3-14(4-8-16)18-13-19(15-5-9-17(27-2)10-6-15)25(24-18)12-11-20(21,22)23/h3-13H,1-2H3/b12-11+
InChIKey GLTNWHVMJBAAGK-VAWYXSNFSA-N
Mol Weight 374.36 g/mol
Molecular Formula C20H17F3N2O2
Exact Mass 374.124212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3QDVoIN7fuz
Name (E)-3,5-Bis(4-methoxyphenyl)-1-(3,3,3-trifluoroprop-1-en-1-yl)-1H-pyrazole
Appearance Off-white solid
Carrier Gas Helium
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Exact Mass 374.124212282 u
Formula C20H17F3N2O2
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C20H17F3N2O2/c1-26-16-7-3-14(4-8-16)18-13-19(15-5-9-17(27-2)10-6-15)25(24-18)12-11-20(21,22)23/h3-13H,1-2H3/b12-11+
InChIKey GLTNWHVMJBAAGK-VAWYXSNFSA-N
Instrument Name Agilent 6890N-Agilent 5973
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.202102840
Molecular Weight 374.363 g/mol
Quality 253
Reported Formula C20H17N2O2F3
SMILES C1(=CC=C(C=C1)OC)C1=CC(=NN1\C=C\C(F)(F)F)C1=CC=C(C=C1)OC
SPLASH splash10-00fr-4209000000-c6c36284a14753edc1ac
Source of Spectrum QE-27-SM24-12 (DOI: 10.1002/chem.202102840)
Thin-Layer Chromatography 0.69 (hexanes/EtOAc, 2:1)
Wiley ID 1904216