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3-(4-Chlorophenyl)-5-methyl-4-[1-(phenylsulfonyl)-pyrazol-3-yl]isoxazole

View entire compound with spectra: 1 NMR

3-(4-Chlorophenyl)-5-methyl-4-[1-(phenylsulfonyl)-pyrazol-3-yl]isoxazole
SpectraBase Compound ID KWtkwY4AoGN
InChI InChI=1S/C19H14ClN3O3S/c1-13-18(19(22-26-13)14-7-9-15(20)10-8-14)17-11-12-23(21-17)27(24,25)16-5-3-2-4-6-16/h2-12H,1H3
InChIKey HUCOMTTZPXOPKC-UHFFFAOYSA-N
Mol Weight 399.85 g/mol
Molecular Formula C19H14ClN3O3S
Exact Mass 399.04444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LHRtGiEM60o
Name 3-(4-Chlorophenyl)-5-methyl-4-[1-(phenylsulfonyl)-pyrazol-3-yl]isoxazole
Comments Computed using HOSE algorithm
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Exact Mass 399.044440194 u
Formula C19H14ClN3O3S
InChI InChI=1S/C19H14ClN3O3S/c1-13-18(19(22-26-13)14-7-9-15(20)10-8-14)17-11-12-23(21-17)27(24,25)16-5-3-2-4-6-16/h2-12H,1H3
InChIKey HUCOMTTZPXOPKC-UHFFFAOYSA-N
Molecular Weight 399.852 g/mol
SMILES C1(=NOC(=C1C1=NN(C=C1)S(=O)(=O)C1=CC=CC=C1)C)C1=CC=C(C=C1)Cl