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5-PHENYL-3-TRIFLUOROMETHYL-1H-1-(2-THENOYL)-PYRAZOLE

View entire compound with spectra: 2 NMR, and 1 MS (GC)

5-PHENYL-3-TRIFLUOROMETHYL-1H-1-(2-THENOYL)-PYRAZOLE
SpectraBase Compound ID AByS7bxGFfr
InChI InChI=1S/C15H9F3N2OS/c16-15(17,18)13-9-11(10-5-2-1-3-6-10)20(19-13)14(21)12-7-4-8-22-12/h1-9H
InChIKey OCQBAWPWJBPMPK-UHFFFAOYSA-N
Mol Weight 322.31 g/mol
Molecular Formula C15H9F3N2OS
Exact Mass 322.038769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EzPczEWgEst
Name [5-phenyl-3-(trifluoromethyl)-1-pyrazolyl]-thiophen-2-ylmethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H9F3N2OS
InChI InChI=1S/C15H9F3N2OS/c16-15(17,18)13-9-11(10-5-2-1-3-6-10)20(19-13)14(21)12-7-4-8-22-12/h1-9H
InChIKey OCQBAWPWJBPMPK-UHFFFAOYSA-N
Molecular Weight 322.305 g/mol
SMILES c1(n[n](c(c1)-c1ccccc1)C(c1sccc1)=O)C(F)(F)F
SPLASH splash10-03di-1901000000-81335e47a0d343fa9aed
Source of Spectrum AJ-42-636-4
Synonyms [5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-(2-thienyl)methanone [5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]-thiophen-2-yl-methanone
Wiley ID 1567907