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5-methyl-4-{[3-(trifluoromethyl)phenoxy]methyl}-N-[4-(trifluoromethyl)phenyl]-3-isoxazolecarboxamide

View entire compound with spectra: 2 NMR

5-methyl-4-{[3-(trifluoromethyl)phenoxy]methyl}-N-[4-(trifluoromethyl)phenyl]-3-isoxazolecarboxamide
SpectraBase Compound ID Ja14FbuPg8A
InChI InChI=1S/C20H14F6N2O3/c1-11-16(10-30-15-4-2-3-13(9-15)20(24,25)26)17(28-31-11)18(29)27-14-7-5-12(6-8-14)19(21,22)23/h2-9H,10H2,1H3,(H,27,29)
InChIKey VLLLZBCBVBQQQO-UHFFFAOYSA-N
Mol Weight 444.33 g/mol
Molecular Formula C20H14F6N2O3
Exact Mass 444.090861 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LwNnXWK3P9J
Name 5-Methyl-4-{[3-(trifluoromethyl)phenoxy]methyl}-N-[4-(trifluoromethyl)phenyl]-3-isoxazolecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.090861294 u
Formula C20H14F6N2O3
InChI InChI=1S/C20H14F6N2O3/c1-11-16(10-30-15-4-2-3-13(9-15)20(24,25)26)17(28-31-11)18(29)27-14-7-5-12(6-8-14)19(21,22)23/h2-9H,10H2,1H3,(H,27,29)
InChIKey VLLLZBCBVBQQQO-UHFFFAOYSA-N
Molecular Weight 444.333 g/mol
SMILES N(C(C=1C(=C(C)ON1)COC1=CC(C(F)(F)F)=CC=C1)=O)C1=CC=C(C(F)(F)F)C=C1