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5-trifluoromethyl-3-phenyl-1H-pyrazole
SpectraBase Compound ID FJiOzJWvBk1
InChI InChI=1S/C10H7F3N2/c11-10(12,13)9-6-8(14-15-9)7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChIKey KJKWJOAARUHGNU-UHFFFAOYSA-N
Mol Weight 212.18 g/mol
Molecular Formula C10H7F3N2
Exact Mass 212.056133 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GkQKJyxxSoX
Name 5-Phenyl-3-(trifluoromethyl)-1H-pyrazole
Appearance Off-white solid
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.056132722 u
Formula C10H7F3N2
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C10H7F3N2/c11-10(12,13)9-6-8(14-15-9)7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChIKey KJKWJOAARUHGNU-UHFFFAOYSA-N
Instrument Name Agilent 6890N-Agilent 5973
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.202102840
Molecular Weight 212.175 g/mol
Quality 236
SMILES N1C(=CC(=N1)C(F)(F)F)C1=CC=CC=C1
SPLASH splash10-03di-1790000000-dd4d695020ddb30d340e
Source of Spectrum QE-27-SM15-2r (DOI: 10.1002/chem.202102840)
Thin-Layer Chromatography 0.62 (hexanes/EtOAc, 2:1)
Wiley ID 1904235