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1-(3,4-dimethylphenyl)-3,5-bis(4-fluorophenyl)-1H-pyrazole

View entire compound with spectra: 2 NMR

1-(3,4-dimethylphenyl)-3,5-bis(4-fluorophenyl)-1H-pyrazole
SpectraBase Compound ID 7ZWfqwjglRi
InChI InChI=1S/C23H18F2N2/c1-15-3-12-21(13-16(15)2)27-23(18-6-10-20(25)11-7-18)14-22(26-27)17-4-8-19(24)9-5-17/h3-14H,1-2H3
InChIKey AYEYNBWQRCMNEL-UHFFFAOYSA-N
Mol Weight 360.41 g/mol
Molecular Formula C23H18F2N2
Exact Mass 360.143805 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4LEF04TNgHa
Name 1-(3,4-Dimethylphenyl)-3,5-bis(4-fluorophenyl)-1H-pyrazole
Comments Computed using HOSE algorithm
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Exact Mass 360.143804914 u
Formula C23H18F2N2
InChI InChI=1S/C23H18F2N2/c1-15-3-12-21(13-16(15)2)27-23(18-6-10-20(25)11-7-18)14-22(26-27)17-4-8-19(24)9-5-17/h3-14H,1-2H3
InChIKey AYEYNBWQRCMNEL-UHFFFAOYSA-N
Molecular Weight 360.408 g/mol
SMILES CC1=C(C=C(C=C1)N1N=C(C=2C=CC(=CC2)F)C=C1C1=CC=C(F)C=C1)C