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4-[5-chloro-3-[[4-(trifluoromethyl)benzoyl]amino]benzofuran-2-yl]-4-keto-butyric acid methyl ester
SpectraBase Compound ID EdM1SGOxPwN
InChI InChI=1S/C21H15ClF3NO5/c1-30-17(28)9-7-15(27)19-18(14-10-13(22)6-8-16(14)31-19)26-20(29)11-2-4-12(5-3-11)21(23,24)25/h2-6,8,10H,7,9H2,1H3,(H,26,29)
InChIKey MYHUEDQSVWTFJC-UHFFFAOYSA-N
Mol Weight 453.8 g/mol
Molecular Formula C21H15ClF3NO5
Exact Mass 453.059085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3HMFWGVLczu
Name 4-[5-chloro-3-[[4-(trifluoromethyl)benzoyl]amino]benzofuran-2-yl]-4-keto-butyric acid methyl ester
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Formula C21H15ClF3NO5
InChI InChI=1S/C21H15ClF3NO5/c1-30-17(28)9-7-15(27)19-18(14-10-13(22)6-8-16(14)31-19)26-20(29)11-2-4-12(5-3-11)21(23,24)25/h2-6,8,10H,7,9H2,1H3,(H,26,29)
InChIKey MYHUEDQSVWTFJC-UHFFFAOYSA-N
Molecular Weight 453.801 g/mol
SMILES N(c1c(oc2ccc(cc12)Cl)C(=O)CCC(OC)=O)C(=O)c1ccc(cc1)C(F)(F)F
SPLASH splash10-00dj-1900200000-8c3ab2837288352055f8
Synonyms 4-[5-chloro-3-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]-2-benzofuranyl]-4-oxobutanoic acid methyl ester Methyl 4-[5-chloranyl-3-[[4-(trifluoromethyl)phenyl]carbonylamino]-1-benzofuran-2-yl]-4-oxidanylidene-butanoate Methyl 4-[5-chloro-3-[[4-(trifluoromethyl)benzoyl]amino]-1-benzofuran-2-yl]-4-oxobutanoate Methyl 4-[5-chloro-3-[[4-(trifluoromethyl)benzoyl]amino]benzofuran-2-yl]-4-oxo-butanoate
Wiley ID 1444229