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Isoxazole, 3-(2-chloro-6-fluorophenyl)-4-(2-ethyl-1-piperidylcarbonyl)-5-methyl-

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Isoxazole, 3-(2-chloro-6-fluorophenyl)-4-(2-ethyl-1-piperidylcarbonyl)-5-methyl-
SpectraBase Compound ID ENhKbSmISva
InChI InChI=1S/C18H20ClFN2O2/c1-3-12-7-4-5-10-22(12)18(23)15-11(2)24-21-17(15)16-13(19)8-6-9-14(16)20/h6,8-9,12H,3-5,7,10H2,1-2H3
InChIKey KLMBPEOPHWZBDK-UHFFFAOYSA-N
Mol Weight 350.82 g/mol
Molecular Formula C18H20ClFN2O2
Exact Mass 350.119734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EcRjEdDc0z
Name Isoxazole, 3-(2-chloro-6-fluorophenyl)-4-(2-ethyl-1-piperidylcarbonyl)-5-methyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.119733753 u
Formula C18H20ClFN2O2
InChI InChI=1S/C18H20ClFN2O2/c1-3-12-7-4-5-10-22(12)18(23)15-11(2)24-21-17(15)16-13(19)8-6-9-14(16)20/h6,8-9,12H,3-5,7,10H2,1-2H3
InChIKey KLMBPEOPHWZBDK-UHFFFAOYSA-N
Molecular Weight 350.821 g/mol
SMILES C=1(C(=NOC1C)C1=C(Cl)C=CC=C1F)C(N1C(CC)CCCC1)=O