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5-((1-fluoro-2,2-di-p-tolylvinyl)thio)-3-methyl-1-phenyl-1H-pyrazole
SpectraBase Compound ID 2PTiEfJzvlx
InChI InChI=1S/C26H23FN2S/c1-18-9-13-21(14-10-18)25(22-15-11-19(2)12-16-22)26(27)30-24-17-20(3)28-29(24)23-7-5-4-6-8-23/h4-17H,1-3H3
InChIKey FJGNTJWAGBYRQX-UHFFFAOYSA-N
Mol Weight 414.54 g/mol
Molecular Formula C26H23FN2S
Exact Mass 414.156598 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mvejgj3ccm
Name 5-((1-fluoro-2,2-di-p-tolylvinyl)thio)-3-methyl-1-phenyl-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23FN2S
InChI InChI=1S/C26H23FN2S/c1-18-9-13-21(14-10-18)25(22-15-11-19(2)12-16-22)26(27)30-24-17-20(3)28-29(24)23-7-5-4-6-8-23/h4-17H,1-3H3
InChIKey FJGNTJWAGBYRQX-UHFFFAOYSA-N
Molecular Weight 414.542 g/mol
SMILES c1(cc(n[n]1-c1ccccc1)C)SC(=C(c1ccc(cc1)C)c1ccc(cc1)C)F
SPLASH splash10-03dl-0559800000-0b16301fb23b33fb32ee
Source of Spectrum Tao Huang, et al. Journal of Fluorine Chemistry, V.182, 2016, P.61-68
Wiley ID 1815766