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4-bromo-N-(tert-butyl)-2-iodo-N,6-dimethylbenzamide
SpectraBase Compound ID KJgcdzcioL5
InChI InChI=1S/C13H17BrINO/c1-8-6-9(14)7-10(15)11(8)12(17)16(5)13(2,3)4/h6-7H,1-5H3
InChIKey MQXVUDIEDPJLPB-UHFFFAOYSA-N
Mol Weight 410.09 g/mol
Molecular Formula C13H17BrINO
Exact Mass 408.953822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KbUVAnJXxy6
Name 4-bromo-N-(tert-butyl)-2-iodo-N,6-dimethylbenzamide
Appearance Colorless oil
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Formula C13H17BrINO
InChI InChI=1S/C13H17BrINO/c1-8-6-9(14)7-10(15)11(8)12(17)16(5)13(2,3)4/h6-7H,1-5H3
InChIKey MQXVUDIEDPJLPB-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1002/anie.201812742
Molecular Weight 410.093 g/mol
Reported Formula C13H17(79)BrINO
SMILES c1(c(c(cc(c1)Br)C)C(=O)N(C(C)(C)C)C)I
SPLASH splash10-00i0-0109000000-06f62bd2713b1df49421
Source of Spectrum ACI-58-SM61-16
Wiley ID 1840634