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Urea, N-(4-fluorobenzoyl)-N'-[4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl]-
SpectraBase Compound ID FJYSGJVJnao
InChI InChI=1S/C24H16F4N4O2/c25-17-10-6-16(7-11-17)22(33)30-23(34)29-18-12-8-15(9-13-18)20-14-21(24(26,27)28)31-32(20)19-4-2-1-3-5-19/h1-14H,(H2,29,30,33,34)
InChIKey WISQZWASPUGGPM-UHFFFAOYSA-N
Mol Weight 468.41 g/mol
Molecular Formula C24H16F4N4O2
Exact Mass 468.120938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BaObGF8X4Ri
Name Urea, N-(4-fluorobenzoyl)-N'-[4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 468.120938421 u
Formula C24H16F4N4O2
InChI InChI=1S/C24H16F4N4O2/c25-17-10-6-16(7-11-17)22(33)30-23(34)29-18-12-8-15(9-13-18)20-14-21(24(26,27)28)31-32(20)19-4-2-1-3-5-19/h1-14H,(H2,29,30,33,34)
InChIKey WISQZWASPUGGPM-UHFFFAOYSA-N
Molecular Weight 468.412 g/mol
SMILES C=1(C=CC(=CC1)F)C(NC(NC1=CC=C(C=C1)C1=CC(=NN1C=1C=CC=CC1)C(F)(F)F)=O)=O