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3-(o-tolyl)-5-(p-tolyl)-1-[(E)-3,3,3-trifluoroprop-1-enyl]pyrazole
SpectraBase Compound ID 6tlY0jLa47S
InChI InChI=1S/C20H17F3N2/c1-14-7-9-16(10-8-14)19-13-18(17-6-4-3-5-15(17)2)24-25(19)12-11-20(21,22)23/h3-13H,1-2H3/b12-11+
InChIKey QQJXPWQCMFKRIF-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 58HeVcqywEl
Name 3-(o-tolyl)-5-(p-tolyl)-1-[(E)-3,3,3-trifluoroprop-1-enyl]pyrazole
Carrier Gas Helium
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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/c1-14-7-9-16(10-8-14)19-13-18(17-6-4-3-5-15(17)2)24-25(19)12-11-20(21,22)23/h3-13H,1-2H3/b12-11+
InChIKey QQJXPWQCMFKRIF-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 234
Reported Formula C20H17N2F3
SMILES C1(=C(C=CC=C1)C)C=1C=C(N(N1)\C=C\C(F)(F)F)C1=CC=C(C=C1)C
SPLASH splash10-0006-1359000000-743bfb31fab2a79f00e6
Source of Spectrum QE-27-SM30-19b (DOI: 10.1002/chem.202102840)
Wiley ID 1904224