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N-(3,4-dichlorobenzyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide

View entire compound with spectra: 2 NMR

N-(3,4-dichlorobenzyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide
SpectraBase Compound ID DYs3o14oZL7
InChI InChI=1S/C18H14Cl2N2O2/c1-11-16(17(22-24-11)13-5-3-2-4-6-13)18(23)21-10-12-7-8-14(19)15(20)9-12/h2-9H,10H2,1H3,(H,21,23)
InChIKey ASTIGNAJNKNPDX-UHFFFAOYSA-N
Mol Weight 361.23 g/mol
Molecular Formula C18H14Cl2N2O2
Exact Mass 360.043233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3g5M0tyWIyT
Name N-(3,4-Dichlorobenzyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 360.043233097 u
Formula C18H14Cl2N2O2
InChI InChI=1S/C18H14Cl2N2O2/c1-11-16(17(22-24-11)13-5-3-2-4-6-13)18(23)21-10-12-7-8-14(19)15(20)9-12/h2-9H,10H2,1H3,(H,21,23)
InChIKey ASTIGNAJNKNPDX-UHFFFAOYSA-N
Molecular Weight 361.228 g/mol
SMILES N(C(C=1C(=NOC1C)C1=CC=CC=C1)=O)CC1=CC(Cl)=C(C=C1)Cl