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5-((1-fluoro-2,2-bis(3-(trifluoromethyl)phenyl)vinyl)thio)-1,3-diphenyl-1H-pyrazole
SpectraBase Compound ID AO2sFtXvhSL
InChI InChI=1S/C31H19F7N2S/c32-29(41-27-19-26(20-9-3-1-4-10-20)39-40(27)25-15-5-2-6-16-25)28(21-11-7-13-23(17-21)30(33,34)35)22-12-8-14-24(18-22)31(36,37)38/h1-19H
InChIKey VMOJMQKNRWRUOO-UHFFFAOYSA-N
Mol Weight 584.56 g/mol
Molecular Formula C31H19F7N2S
Exact Mass 584.115717 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 679T4C3hPmr
Name 5-((1-fluoro-2,2-bis(3-(trifluoromethyl)phenyl)vinyl)thio)-1,3-diphenyl-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H19F7N2S
InChI InChI=1S/C31H19F7N2S/c32-29(41-27-19-26(20-9-3-1-4-10-20)39-40(27)25-15-5-2-6-16-25)28(21-11-7-13-23(17-21)30(33,34)35)22-12-8-14-24(18-22)31(36,37)38/h1-19H
InChIKey VMOJMQKNRWRUOO-UHFFFAOYSA-N
Molecular Weight 584.556 g/mol
SMILES c1(cc(n[n]1-c1ccccc1)-c1ccccc1)SC(=C(c1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccc1)F
SPLASH splash10-001i-0021190000-b3b78c3d3dc4565bda59
Source of Spectrum Tao Huang, et al. Journal of Fluorine Chemistry, V.182, 2016, P.61-68
Wiley ID 1815767