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N-[4,6-dibromo-3-(4-methoxyphenyl)-1-oxo-1,3-dihydro-2-benzofuran-5-yl]-2,2,2-trifluoroacetamide
SpectraBase Compound ID EjtrScYjnsn
InChI InChI=1S/C17H10Br2F3NO4/c1-26-8-4-2-7(3-5-8)14-11-9(15(24)27-14)6-10(18)13(12(11)19)23-16(25)17(20,21)22/h2-6,14H,1H3,(H,23,25)
InChIKey KJGDXGVLMNUKFN-UHFFFAOYSA-N
Mol Weight 509.07 g/mol
Molecular Formula C17H10Br2F3NO4
Exact Mass 506.892868 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dby2WPgz1U7
Name N-[4,6-dibromo-3-(4-methoxyphenyl)-1-oxo-1,3-dihydro-2-benzofuran-5-yl]-2,2,2-trifluoroacetamide
Alternate Name(s) N-(4,6-dibromo-3-(4-methoxyphenyl)-1-oxo-1,3-dihydroisobenzofuran-5-yl)-2,2,2-trifluoroacetamide
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Formula C17H10Br2F3NO4
InChI InChI=1S/C17H10Br2F3NO4/c1-26-8-4-2-7(3-5-8)14-11-9(15(24)27-14)6-10(18)13(12(11)19)23-16(25)17(20,21)22/h2-6,14H,1H3,(H,23,25)
InChIKey KJGDXGVLMNUKFN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201205465
Molecular Weight 509.073 g/mol
SMILES N(C(C(F)(F)F)=O)c1c(Br)c2c(C(OC2c2ccc(cc2)OC)=O)cc1Br
SPLASH splash10-0ab9-7108090000-ab3ad96a3676ad064a80
Source of Spectrum ACI-51-SM26-4s
Wiley ID 1780750