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3-{[3,5-bis(4-fluorophenyl)-1H-pyrazol-1-yl]methyl}phenyl methyl ether
SpectraBase Compound ID 7xKRk9bnl77
InChI InChI=1S/C23H18F2N2O/c1-28-21-4-2-3-16(13-21)15-27-23(18-7-11-20(25)12-8-18)14-22(26-27)17-5-9-19(24)10-6-17/h2-14H,15H2,1H3
InChIKey VAXKWBJILCNJQG-UHFFFAOYSA-N
Mol Weight 376.41 g/mol
Molecular Formula C23H18F2N2O
Exact Mass 376.13872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IhE5lwWmtZH
Name 3-{[3,5-bis(4-Fluorophenyl)-1H-pyrazol-1-yl]methyl}phenyl methyl ether
Comments Computed using HOSE algorithm
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Exact Mass 376.138719533 u
Formula C23H18F2N2O
InChI InChI=1S/C23H18F2N2O/c1-28-21-4-2-3-16(13-21)15-27-23(18-7-11-20(25)12-8-18)14-22(26-27)17-5-9-19(24)10-6-17/h2-14H,15H2,1H3
InChIKey VAXKWBJILCNJQG-UHFFFAOYSA-N
Molecular Weight 376.407 g/mol
SMILES COC1=CC=CC(=C1)CN1N=C(C=2C=CC(=CC2)F)C=C1C1=CC=C(F)C=C1