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3-(2-Chlorophenyl)-N-[4-(cyanomethyl)phenyl]-5-methyl-4-isoxazolecarboxamide
SpectraBase Compound ID 40MHtdBq8yt
InChI InChI=1S/C19H14ClN3O2/c1-12-17(18(23-25-12)15-4-2-3-5-16(15)20)19(24)22-14-8-6-13(7-9-14)10-11-21/h2-9H,10H2,1H3,(H,22,24)
InChIKey MSHJZDUMOXNUMA-UHFFFAOYSA-N
Mol Weight 351.79 g/mol
Molecular Formula C19H14ClN3O2
Exact Mass 351.077454 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ipQuHRrGS
Name 3-(2-Chlorophenyl)-N-[4-(cyanomethyl)phenyl]-5-methyl-4-isoxazolecarboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14ClN3O2
InChI InChI=1S/C19H14ClN3O2/c1-12-17(18(23-25-12)15-4-2-3-5-16(15)20)19(24)22-14-8-6-13(7-9-14)10-11-21/h2-9H,10H2,1H3,(H,22,24)
InChIKey MSHJZDUMOXNUMA-UHFFFAOYSA-N
Molecular Weight 351.793 g/mol
SMILES N(C(c1c(noc1C)-c1c(Cl)cccc1)=O)c1ccc(CC#N)cc1
SPLASH splash10-00or-3915000000-9af1c2e5865223331c66
Synonyms 3-(2-Chlorophenyl)-N-[4-(cyanomethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide 3-(2-Chlorophenyl)-N-[4-(cyanomethyl)phenyl]-5-methyl-isoxazole-4-carboxamide Isoxazole-4-carboxylic acid, 3-(2-chlorophenyl)-5-methyl-, (4-cyanomethylphenyl)amide
Wiley ID 1442090