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3-phenyl-N-[2,2,2-trifluoro-1-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]-1-(trifluoromethyl)ethyl]propanamide
SpectraBase Compound ID AGtUAbjvgZT
InChI InChI=1S/C22H20F6N4O/c1-15-14-18(32(31-15)17-10-6-3-7-11-17)29-20(21(23,24)25,22(26,27)28)30-19(33)13-12-16-8-4-2-5-9-16/h2-11,14,29H,12-13H2,1H3,(H,30,33)
InChIKey MAVCUJZYCCCHAD-UHFFFAOYSA-N
Mol Weight 470.42 g/mol
Molecular Formula C22H20F6N4O
Exact Mass 470.15413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8l6o0XipL1g
Name 3-Phenyl-N-[2,2,2-trifluoro-1-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]-1-(trifluoromethyl)ethyl]propanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.154130257 u
Formula C22H20F6N4O
InChI InChI=1S/C22H20F6N4O/c1-15-14-18(32(31-15)17-10-6-3-7-11-17)29-20(21(23,24)25,22(26,27)28)30-19(33)13-12-16-8-4-2-5-9-16/h2-11,14,29H,12-13H2,1H3,(H,30,33)
InChIKey MAVCUJZYCCCHAD-UHFFFAOYSA-N
Molecular Weight 470.419 g/mol
SMILES N(C=1N(N=C(C1)C)C=1C=CC=CC1)C(C(F)(F)F)(C(F)(F)F)NC(=O)CCC1=CC=CC=C1