For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-((1-fluoro-2,2-bis(3-(trifluoromethyl)phenyl)vinyl)thio)-3-methyl-1-phenyl-1H-pyrazole
SpectraBase Compound ID AgUKHZJa9sY
InChI InChI=1S/C26H17F7N2S/c1-16-13-22(35(34-16)21-11-3-2-4-12-21)36-24(27)23(17-7-5-9-19(14-17)25(28,29)30)18-8-6-10-20(15-18)26(31,32)33/h2-15H,1H3
InChIKey BUGQRDREHUTTII-UHFFFAOYSA-N
Mol Weight 522.48 g/mol
Molecular Formula C26H17F7N2S
Exact Mass 522.100067 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AuPrrVRVj57
Name 5-((1-fluoro-2,2-bis(3-(trifluoromethyl)phenyl)vinyl)thio)-3-methyl-1-phenyl-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H17F7N2S
InChI InChI=1S/C26H17F7N2S/c1-16-13-22(35(34-16)21-11-3-2-4-12-21)36-24(27)23(17-7-5-9-19(14-17)25(28,29)30)18-8-6-10-20(15-18)26(31,32)33/h2-15H,1H3
InChIKey BUGQRDREHUTTII-UHFFFAOYSA-N
Molecular Weight 522.485 g/mol
SMILES c1(cc(n[n]1-c1ccccc1)C)SC(=C(c1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccc1)F
SPLASH splash10-00di-0143290000-ec20dd0a60ab409cf6b3
Source of Spectrum Tao Huang, et al. Journal of Fluorine Chemistry, V.182, 2016, P.61-68
Wiley ID 1815765