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4-{[3,5-bis(4-fluorophenyl)-1H-pyrazol-1-yl]methyl}phenyl methyl ether
SpectraBase Compound ID 5BbNTtuKDIk
InChI InChI=1S/C23H18F2N2O/c1-28-21-12-2-16(3-13-21)15-27-23(18-6-10-20(25)11-7-18)14-22(26-27)17-4-8-19(24)9-5-17/h2-14H,15H2,1H3
InChIKey LJCUOAHAQUOZTA-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 1K5owBEMFaO
Name 4-{[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/c1-28-21-12-2-16(3-13-21)15-27-23(18-6-10-20(25)11-7-18)14-22(26-27)17-4-8-19(24)9-5-17/h2-14H,15H2,1H3
InChIKey LJCUOAHAQUOZTA-UHFFFAOYSA-N
Molecular Weight 376.407 g/mol
SMILES COC1=CC=C(CN2N=C(C=3C=CC(=CC3)F)C=C2C2=CC=C(F)C=C2)C=C1