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3-(2-chloro-6-fluorophenyl)-N-(4-methoxy-2-nitrophenyl)-5-methyl-4-isoxazolecarboxamide
SpectraBase Compound ID 8PmZReee9sy
InChI InChI=1S/C18H13ClFN3O5/c1-9-15(17(22-28-9)16-11(19)4-3-5-12(16)20)18(24)21-13-7-6-10(27-2)8-14(13)23(25)26/h3-8H,1-2H3,(H,21,24)
InChIKey VFDOWSQEWGKPJL-UHFFFAOYSA-N
Mol Weight 405.77 g/mol
Molecular Formula C18H13ClFN3O5
Exact Mass 405.052776 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZcItlk0dVk
Name 3-(2-Chloro-6-fluorophenyl)-N-(4-methoxy-2-nitrophenyl)-5-methyl-4-isoxazolecarboxamide
CAS Registry Number 309267-92-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13ClFN3O5
InChI InChI=1S/C18H13ClFN3O5/c1-9-15(17(22-28-9)16-11(19)4-3-5-12(16)20)18(24)21-13-7-6-10(27-2)8-14(13)23(25)26/h3-8H,1-2H3,(H,21,24)
InChIKey VFDOWSQEWGKPJL-UHFFFAOYSA-N
Molecular Weight 405.769 g/mol
SMILES N(C(c1c(noc1C)-c1c(F)cccc1Cl)=O)c1c(N(=O)=O)cc(cc1)OC
SPLASH splash10-0007-9701100000-f530cdd56a51bc835a51
Source of Spectrum AD-0-2532-0
Synonyms 3-(2-Chloranyl-6-fluoranyl-phenyl)-N-(4-methoxy-2-nitro-phenyl)-5-methyl-1,2-oxazole-4-carboxamide 3-(2-Chloro-6-fluoro-phenyl)-N-(4-methoxy-2-nitro-phenyl)-5-methyl-isoxazole-4-carboxamide 3-(2-Chloro-6-fluorophenyl)-N-(4-methoxy-2-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide Isoxazole-4-carboxamide, 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-methoxy-2-nitrophenyl)-
Wiley ID 1428221