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4-{[2-oxo-5-(Trifluoromethyl)-1(2H)-pyridyl]methyl}-4'-(trifluoromethoxy)carbanilide

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4-{[2-oxo-5-(Trifluoromethyl)-1(2H)-pyridyl]methyl}-4'-(trifluoromethoxy)carbanilide
SpectraBase Compound ID L9bdcUAZQrd
InChI InChI=1S/C21H15F6N3O3/c22-20(23,24)14-3-10-18(31)30(12-14)11-13-1-4-15(5-2-13)28-19(32)29-16-6-8-17(9-7-16)33-21(25,26)27/h1-10,12H,11H2,(H2,28,29,32)
InChIKey YCRNZSDDVBADAE-UHFFFAOYSA-N
Mol Weight 471.36 g/mol
Molecular Formula C21H15F6N3O3
Exact Mass 471.10176 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AGcLSTv8n7n
Name 4-{[2-oxo-5-(Trifluoromethyl)-1(2H)-pyridyl]methyl}-4'-(trifluoromethoxy)carbanilide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 471.101760330 u
Formula C21H15F6N3O3
InChI InChI=1S/C21H15F6N3O3/c22-20(23,24)14-3-10-18(31)30(12-14)11-13-1-4-15(5-2-13)28-19(32)29-16-6-8-17(9-7-16)33-21(25,26)27/h1-10,12H,11H2,(H2,28,29,32)
InChIKey YCRNZSDDVBADAE-UHFFFAOYSA-N
Molecular Weight 471.359 g/mol
SMILES N(C(NC1=CC=C(C=C1)CN1C(=O)C=CC(=C1)C(F)(F)F)=O)C1=CC=C(C=C1)OC(F)(F)F