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4-fluoro-2-[5-(4-fluorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol
SpectraBase Compound ID F2rDYorkaYS
InChI InChI=1S/C21H16F2N2O/c22-15-8-6-14(7-9-15)20-13-19(18-12-16(23)10-11-21(18)26)24-25(20)17-4-2-1-3-5-17/h1-12,20,26H,13H2
InChIKey YZKKSGGDZJHPFY-UHFFFAOYSA-N
Mol Weight 350.37 g/mol
Molecular Formula C21H16F2N2O
Exact Mass 350.123069 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 39QCikT8WJr
Name 4-Fluoro-2-[5-(4-fluorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol
Comments Computed using HOSE algorithm
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Exact Mass 350.123069468 u
Formula C21H16F2N2O
InChI InChI=1S/C21H16F2N2O/c22-15-8-6-14(7-9-15)20-13-19(18-12-16(23)10-11-21(18)26)24-25(20)17-4-2-1-3-5-17/h1-12,20,26H,13H2
InChIKey YZKKSGGDZJHPFY-UHFFFAOYSA-N
Molecular Weight 350.369 g/mol
SMILES OC1=C(C2=NN(C(C=3C=CC(=CC3)F)C2)C=2C=CC=CC2)C=C(C=C1)F