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3-(2-Chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carboxylic acid (pyridin-4-ylmethyl)-amide
SpectraBase Compound ID 8heCJ316JUA
InChI InChI=1S/C17H13ClFN3O2/c1-10-14(17(23)21-9-11-5-7-20-8-6-11)16(22-24-10)15-12(18)3-2-4-13(15)19/h2-8H,9H2,1H3,(H,21,23)
InChIKey LCBZKYSIPJPASJ-UHFFFAOYSA-N
Mol Weight 345.76 g/mol
Molecular Formula C17H13ClFN3O2
Exact Mass 345.068033 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3X2v90BKHd1
Name 3-(2-Chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carboxylic acid (pyridin-4-ylmethyl)-amide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13ClFN3O2
InChI InChI=1S/C17H13ClFN3O2/c1-10-14(17(23)21-9-11-5-7-20-8-6-11)16(22-24-10)15-12(18)3-2-4-13(15)19/h2-8H,9H2,1H3,(H,21,23)
InChIKey LCBZKYSIPJPASJ-UHFFFAOYSA-N
Molecular Weight 345.761 g/mol
SMILES N(C(c1c(noc1C)-c1c(F)cccc1Cl)=O)Cc1ccncc1
SPLASH splash10-0006-9402000000-5c63af0e34fe0bf11230
Synonyms 3-(2-Chloranyl-6-fluoranyl-phenyl)-5-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-4-carboxamide 3-(2-Chloro-6-fluoro-phenyl)-5-methyl-N-(4-pyridylmethyl)isoxazole-4-carboxamide 3-(2-Chloro-6-fluorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-4-carboxamide 3-(2-Chloro-6-fluorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)-4-isoxazolecarboxamide
Wiley ID 1466225