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5-([1,1'-Biphenyl]-4-yl)-3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID Gx44YF7GwfN
InChI InChI=1S/C17H12F6N2/c18-16(19,20)14-10-15(25-24-14,17(21,22)23)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,25H,10H2
InChIKey MEVRXTCDENMGNW-UHFFFAOYSA-N
Mol Weight 358.29 g/mol
Molecular Formula C17H12F6N2
Exact Mass 358.090467 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzrxCTvUHSw
Name 5-([1,1'-Biphenyl]-4-yl)-3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyrazole
Appearance Yellow solid
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Formula C17H12F6N2
InChI InChI=1S/C17H12F6N2/c18-16(19,20)14-10-15(25-24-14,17(21,22)23)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,25H,10H2
InChIKey MEVRXTCDENMGNW-UHFFFAOYSA-N
Instrument Name Micromass GCT CA 005 and Micromass LCTTM
Ionization Type EI
Literature Reference DOI 10.1002/cjoc.202000480
Molecular Weight 358.287 g/mol
Reported Formula C17H12F6N2
SMILES N1N=C(CC1(c1ccc(cc1)-c1ccccc1)C(F)(F)F)C(F)(F)F
SPLASH splash10-000i-0191000000-0705a89c6503862196c8
Source of Spectrum CJC-39-SM26-3i
Wiley ID 1856540