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8-Iodomethyl-8-methyl-7-benzoylbicyclo[4.2.0]-7-azaoct-1,3,5-triene
SpectraBase Compound ID JyxUpMoA79c
InChI InChI=1S/C16H14INO/c1-16(11-17)13-9-5-6-10-14(13)18(16)15(19)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKey MZGCVHJCIRQLKT-UHFFFAOYSA-N
Mol Weight 363.2 g/mol
Molecular Formula C16H14INO
Exact Mass 363.012009 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LvLNnBhtGWa
Name 8-Iodomethyl-8-methyl-7-benzoylbicyclo[4.2.0]-7-azaoct-1,3,5-triene
Alternate Name(s) 7-benzoyl-8-(iodomethyl)-8-methyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
Comments Less than 3 mono-isotopic peaks
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Formula C16H14INO
InChI InChI=1S/C16H14INO/c1-16(11-17)13-9-5-6-10-14(13)18(16)15(19)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKey MZGCVHJCIRQLKT-UHFFFAOYSA-N
Molecular Weight 363.198 g/mol
SMILES C1(N(c2c1cccc2)C(=O)c1ccccc1)(CI)C
SPLASH splash10-00di-0091000000-bcf6ca8b4f80ef432e7b
Source of Spectrum HC-78-887-2
Wiley ID 1612677