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3-(o-Chlorophenyl)-5-methyl-2'-morpholine-4-isoxazolecarboxanilide

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 UV-Vis

3-(o-Chlorophenyl)-5-methyl-2'-morpholine-4-isoxazolecarboxanilide
SpectraBase Compound ID AW3cArEnnfl
InChI InChI=1S/C21H20ClN3O3/c1-14-19(20(24-28-14)15-6-2-3-7-16(15)22)21(26)23-17-8-4-5-9-18(17)25-10-12-27-13-11-25/h2-9H,10-13H2,1H3,(H,23,26)
InChIKey HWDDSOCEBMCFDX-UHFFFAOYSA-N
Mol Weight 397.86 g/mol
Molecular Formula C21H20ClN3O3
Exact Mass 397.119319 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9kHG2f3U2Ls
Name 3-(o-Chlorophenyl)-5-methyl-2'-morpholine-4-isoxazolecarboxanilide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.119319213 u
Formula C21H20ClN3O3
InChI InChI=1S/C21H20ClN3O3/c1-14-19(20(24-28-14)15-6-2-3-7-16(15)22)21(26)23-17-8-4-5-9-18(17)25-10-12-27-13-11-25/h2-9H,10-13H2,1H3,(H,23,26)
InChIKey HWDDSOCEBMCFDX-UHFFFAOYSA-N
Molecular Weight 397.862 g/mol
SMILES N(C1=CC=CC=C1N1CCOCC1)C(C1=C(ON=C1C=1C=CC=CC1Cl)C)=O