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1-[3-Fluoro-4'-(trifluoromethyl)-(1,1'-biphenyl)-2-yl]-1H-pyrazole
SpectraBase Compound ID IhT6gkG5uyB
InChI InChI=1S/C16H10F4N2/c17-14-4-1-3-13(15(14)22-10-2-9-21-22)11-5-7-12(8-6-11)16(18,19)20/h1-10H
InChIKey GXLFHLKHUJVREL-UHFFFAOYSA-N
Mol Weight 306.26 g/mol
Molecular Formula C16H10F4N2
Exact Mass 306.078011 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1C25bHYvlQE
Name 1-[3-Fluoro-4'-(trifluoromethyl)-(1,1'-biphenyl)-2-yl]-1H-pyrazole
Appearance Colorless oil
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Formula C16H10F4N2
InChI InChI=1S/C16H10F4N2/c17-14-4-1-3-13(15(14)22-10-2-9-21-22)11-5-7-12(8-6-11)16(18,19)20/h1-10H
InChIKey GXLFHLKHUJVREL-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701231
Molecular Weight 306.264 g/mol
Reported Formula C16H10N2F4
SMILES C1(=C(C(=CC=C1)C1=CC=C(C=C1)C(F)(F)F)N1C=CC=N1)F
SPLASH splash10-0a4i-0019000000-683faba5dba856f85105
Source of Spectrum ACI-56-SM25-3ee (DOI: 10.1002/anie.201701231)
Wiley ID 1895827