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N-[2-(2-Bromophenyl)ethyl]-2-iodo-4,5-dimethoxybenzamide
SpectraBase Compound ID 7zrqkSefxee
InChI InChI=1S/C17H17BrINO3/c1-22-15-9-12(14(19)10-16(15)23-2)17(21)20-8-7-11-5-3-4-6-13(11)18/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)
InChIKey UXFPTFKJIMGMBG-UHFFFAOYSA-N
Mol Weight 490.14 g/mol
Molecular Formula C17H17BrINO3
Exact Mass 488.943651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2C4Zz4aQwT6
Name N-[2-(2-Bromophenyl)ethyl]-2-iodo-4,5-dimethoxybenzamide
Alternate Name(s) N-[2-(2-bromophenyl)ethyl]-2-iodanyl-4,5-dimethoxy-benzamide
Comments Less than 3 mono-isotopic peaks
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Formula C17H17BrINO3
InChI InChI=1S/C17H17BrINO3/c1-22-15-9-12(14(19)10-16(15)23-2)17(21)20-8-7-11-5-3-4-6-13(11)18/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)
InChIKey UXFPTFKJIMGMBG-UHFFFAOYSA-N
Molecular Weight 490.135 g/mol
SMILES N(C(c1c(cc(c(c1)OC)OC)I)=O)CCc1c(cccc1)Br
SPLASH splash10-0006-0090000000-ced59eae978a494ec430
Source of Spectrum J-64-880-7
Wiley ID 1529288