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8-Iodomethyl-8-methyl-7-trifluoroacetylbicyclo[4.2.0]-7-azaoct-1,3,5-triene
SpectraBase Compound ID 94JAgS9omvQ
InChI InChI=1S/C11H9F3INO/c1-10(6-15)7-4-2-3-5-8(7)16(10)9(17)11(12,13)14/h2-5H,6H2,1H3
InChIKey SISNEJKTTOOCJJ-UHFFFAOYSA-N
Mol Weight 355.1 g/mol
Molecular Formula C11H9F3INO
Exact Mass 354.968093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LXu2tFiHRfM
Name 8-Iodomethyl-8-methyl-7-trifluoroacetylbicyclo[4.2.0]-7-azaoct-1,3,5-triene
Alternate Name(s) 8-(iodomethyl)-8-methyl-7-(trifluoroacetyl)-7-azabicyclo[4.2.0]octa-1,3,5-triene
Comments Less than 3 mono-isotopic peaks
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Formula C11H9F3INO
InChI InChI=1S/C11H9F3INO/c1-10(6-15)7-4-2-3-5-8(7)16(10)9(17)11(12,13)14/h2-5H,6H2,1H3
InChIKey SISNEJKTTOOCJJ-UHFFFAOYSA-N
Molecular Weight 355.099 g/mol
SMILES C1(N(c2c1cccc2)C(C(F)(F)F)=O)(CI)C
SPLASH splash10-03di-0090000000-2d0e05bd60c0d957ae6b
Source of Spectrum HC-78-887-2
Wiley ID 1612678