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3-(2,6-dichlorophenyl)-N-(4-methoxybenzyl)-5-methyl-4-isoxazolecarboxamide

View entire compound with spectra: 2 NMR

3-(2,6-dichlorophenyl)-N-(4-methoxybenzyl)-5-methyl-4-isoxazolecarboxamide
SpectraBase Compound ID 78wxrJKUGkc
InChI InChI=1S/C19H16Cl2N2O3/c1-11-16(18(23-26-11)17-14(20)4-3-5-15(17)21)19(24)22-10-12-6-8-13(25-2)9-7-12/h3-9H,10H2,1-2H3,(H,22,24)
InChIKey PQCFWICZDBHTJQ-UHFFFAOYSA-N
Mol Weight 391.25 g/mol
Molecular Formula C19H16Cl2N2O3
Exact Mass 390.053798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9nMC6LyFBrC
Name 3-(2,6-Dichlorophenyl)-N-(4-methoxybenzyl)-5-methyl-4-isoxazolecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.053797780 u
Formula C19H16Cl2N2O3
InChI InChI=1S/C19H16Cl2N2O3/c1-11-16(18(23-26-11)17-14(20)4-3-5-15(17)21)19(24)22-10-12-6-8-13(25-2)9-7-12/h3-9H,10H2,1-2H3,(H,22,24)
InChIKey PQCFWICZDBHTJQ-UHFFFAOYSA-N
Molecular Weight 391.254 g/mol
SMILES N(C(C=1C(=NOC1C)C1=C(Cl)C=CC=C1Cl)=O)CC=1C=CC(=CC1)OC