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5-(Perfluoroethyl)-3-(4-(trifluoromethyl)phenyl)-1H-pyrazole
SpectraBase Compound ID 5DBRLBxbDVE
InChI InChI=1S/C12H6F8N2/c13-10(14,12(18,19)20)9-5-8(21-22-9)6-1-3-7(4-2-6)11(15,16)17/h1-5H,(H,21,22)
InChIKey ZTPYTJSBFVGMMW-UHFFFAOYSA-N
Mol Weight 330.18 g/mol
Molecular Formula C12H6F8N2
Exact Mass 330.040324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AqkyEOPOHUp
Name 5-(Perfluoroethyl)-3-(4-(trifluoromethyl)phenyl)-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H6F8N2
InChI InChI=1S/C12H6F8N2/c13-10(14,12(18,19)20)9-5-8(21-22-9)6-1-3-7(4-2-6)11(15,16)17/h1-5H,(H,21,22)
InChIKey ZTPYTJSBFVGMMW-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5OB01151E
Molecular Weight 330.181 g/mol
SMILES [nH]1c(cc(n1)C(C(F)(F)F)(F)F)-c1ccc(cc1)C(F)(F)F
SPLASH splash10-03e9-0289000000-d6e0d2bd706eacc93161
Source of Spectrum F5-13-8287-5h
Synonyms 3-(perfluoroethyl)-5-(4-(trifluoromethyl)phenyl)-1H-pyrazole
Wiley ID 1807002