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3-(naphthalen-2-yl)-5-(perfluoroethyl)-1-phenyl-1H-pyrazole

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

3-(naphthalen-2-yl)-5-(perfluoroethyl)-1-phenyl-1H-pyrazole
SpectraBase Compound ID LNHKWbBRfFg
InChI InChI=1S/C21H13F5N2/c22-20(23,21(24,25)26)19-13-18(27-28(19)17-8-2-1-3-9-17)16-11-10-14-6-4-5-7-15(14)12-16/h1-13H
InChIKey VMEAHLPBSSKMNP-UHFFFAOYSA-N
Mol Weight 388.34 g/mol
Molecular Formula C21H13F5N2
Exact Mass 388.099889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4O1YQWDd1Qu
Name 3-(Naphthalen-2-yl)-5-(perfluoroethyl)-1-phenyl-1H-pyrazole
Comments Computed using HOSE algorithm
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Exact Mass 388.099889242 u
Formula C21H13F5N2
InChI InChI=1S/C21H13F5N2/c22-20(23,21(24,25)26)19-13-18(27-28(19)17-8-2-1-3-9-17)16-11-10-14-6-4-5-7-15(14)12-16/h1-13H
InChIKey VMEAHLPBSSKMNP-UHFFFAOYSA-N
Molecular Weight 388.341 g/mol
SMILES C1(=NN(C(=C1)C(C(F)(F)F)(F)F)C=1C=CC=CC1)C=1C=C2C(=CC1)C=CC=C2