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2-(4-chloro-2-methylphenoxy)-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]propanamide

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2-(4-chloro-2-methylphenoxy)-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]propanamide
SpectraBase Compound ID 3ScF71YTtOH
InChI InChI=1S/C20H19ClFN3O2/c1-13-9-16(21)5-8-19(13)27-14(2)20(26)24-18-10-23-25(12-18)11-15-3-6-17(22)7-4-15/h3-10,12,14H,11H2,1-2H3,(H,24,26)
InChIKey FQEQQOFDISKXTE-UHFFFAOYSA-N
Mol Weight 387.84 g/mol
Molecular Formula C20H19ClFN3O2
Exact Mass 387.114983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 42zaFCEABD6
Name 2-(4-Chloro-2-methylphenoxy)-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]propanamide
Comments Computed using HOSE algorithm
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Exact Mass 387.114982725 u
Formula C20H19ClFN3O2
InChI InChI=1S/C20H19ClFN3O2/c1-13-9-16(21)5-8-19(13)27-14(2)20(26)24-18-10-23-25(12-18)11-15-3-6-17(22)7-4-15/h3-10,12,14H,11H2,1-2H3,(H,24,26)
InChIKey FQEQQOFDISKXTE-UHFFFAOYSA-N
Molecular Weight 387.842 g/mol
SMILES N(C1=CN(N=C1)CC=1C=CC(=CC1)F)C(C(OC=1C(=CC(=CC1)Cl)C)C)=O