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N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(2,4-difluorophenoxy)acetamide

View entire compound with spectra: 2 NMR

N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(2,4-difluorophenoxy)acetamide
SpectraBase Compound ID CdgXbP7O2K4
InChI InChI=1S/C20H18ClF2N3O2/c1-12-20(13(2)26(25-12)10-14-5-3-4-6-16(14)21)24-19(27)11-28-18-8-7-15(22)9-17(18)23/h3-9H,10-11H2,1-2H3,(H,24,27)
InChIKey KNDWBGSVPSFZDS-UHFFFAOYSA-N
Mol Weight 405.83 g/mol
Molecular Formula C20H18ClF2N3O2
Exact Mass 405.105561 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6kV9wI7XiLe
Name N-[1-(2-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-(2,4-difluorophenoxy)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.105560856 u
Formula C20H18ClF2N3O2
InChI InChI=1S/C20H18ClF2N3O2/c1-12-20(13(2)26(25-12)10-14-5-3-4-6-16(14)21)24-19(27)11-28-18-8-7-15(22)9-17(18)23/h3-9H,10-11H2,1-2H3,(H,24,27)
InChIKey KNDWBGSVPSFZDS-UHFFFAOYSA-N
Molecular Weight 405.833 g/mol
SMILES N(C1=C(N(N=C1C)CC1=C(Cl)C=CC=C1)C)C(=O)COC1=C(C=C(C=C1)F)F