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benzamide, 4-[(3,5-dimethyl-4-isoxazolyl)methoxy]-N-[4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl]-
SpectraBase Compound ID gyqwJGJpGH
InChI InChI=1S/C24H21F3N4O3/c1-14-12-22(24(25,26)27)29-31(14)19-8-6-18(7-9-19)28-23(32)17-4-10-20(11-5-17)33-13-21-15(2)30-34-16(21)3/h4-12H,13H2,1-3H3,(H,28,32)
InChIKey KUTNYFGFYPHHDN-UHFFFAOYSA-N
Mol Weight 470.45 g/mol
Molecular Formula C24H21F3N4O3
Exact Mass 470.156575 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CkhPZvU6k4M
Name Benzamide, 4-[(3,5-dimethyl-4-isoxazolyl)methoxy]-N-[4-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.156575038 u
Formula C24H21F3N4O3
InChI InChI=1S/C24H21F3N4O3/c1-14-12-22(24(25,26)27)29-31(14)19-8-6-18(7-9-19)28-23(32)17-4-10-20(11-5-17)33-13-21-15(2)30-34-16(21)3/h4-12H,13H2,1-3H3,(H,28,32)
InChIKey KUTNYFGFYPHHDN-UHFFFAOYSA-N
Molecular Weight 470.452 g/mol
SMILES N(C1=CC=C(N2N=C(C=C2C)C(F)(F)F)C=C1)C(C1=CC=C(OCC2=C(ON=C2C)C)C=C1)=O