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2-[[(2-chloro-4,5-difluorophenyl)-oxomethyl]amino]-5-iodobenzoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

2-[[(2-chloro-4,5-difluorophenyl)-oxomethyl]amino]-5-iodobenzoic acid methyl ester
SpectraBase Compound ID 9Fh3L0KfF6f
InChI InChI=1S/C15H9ClF2INO3/c1-23-15(22)9-4-7(19)2-3-13(9)20-14(21)8-5-11(17)12(18)6-10(8)16/h2-6H,1H3,(H,20,21)
InChIKey AOFVAXRFITWGRZ-UHFFFAOYSA-N
Mol Weight 451.6 g/mol
Molecular Formula C15H9ClF2INO3
Exact Mass 450.928372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGDoJHaM8OC
Name 2-[[(2-chloro-4,5-difluorophenyl)-oxomethyl]amino]-5-iodobenzoic acid methyl ester
Alternate Name(s) Methyl 2-[(2-chloro-4,5-difluoro-benzoyl)amino]-5-iodo-benzoate Methyl 2-[[2-chloranyl-4,5-bis(fluoranyl)phenyl]carbonylamino]-5-iodanyl-benzoate Methyl 2-[(2-chloro-4,5-difluorobenzoyl)amino]-5-iodobenzoate
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Formula C15H9ClF2INO3
InChI InChI=1S/C15H9ClF2INO3/c1-23-15(22)9-4-7(19)2-3-13(9)20-14(21)8-5-11(17)12(18)6-10(8)16/h2-6H,1H3,(H,20,21)
InChIKey AOFVAXRFITWGRZ-UHFFFAOYSA-N
Molecular Weight 451.595 g/mol
SMILES N(c1ccc(cc1C(OC)=O)I)C(=O)c1cc(c(cc1Cl)F)F
SPLASH splash10-004i-2900000000-b36ed67043201b6bc34d
Wiley ID 1444262