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7-Acetyl-8-iodomethyl-8-methylbicyclo[4.2.0]-7-azaoct-1,3,5-triene
SpectraBase Compound ID JF71IWsoFZI
InChI InChI=1S/C11H12INO/c1-8(14)13-10-6-4-3-5-9(10)11(13,2)7-12/h3-6H,7H2,1-2H3
InChIKey VRQGHPQXCLRJLU-UHFFFAOYSA-N
Mol Weight 301.13 g/mol
Molecular Formula C11H12INO
Exact Mass 300.996359 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F1WjirNdJkW
Name 7-Acetyl-8-iodomethyl-8-methylbicyclo[4.2.0]-7-azaoct-1,3,5-triene
Alternate Name(s) 7-acetyl-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 C11H12INO
InChI InChI=1S/C11H12INO/c1-8(14)13-10-6-4-3-5-9(10)11(13,2)7-12/h3-6H,7H2,1-2H3
InChIKey VRQGHPQXCLRJLU-UHFFFAOYSA-N
Molecular Weight 301.127 g/mol
SMILES C1(N(c2c1cccc2)C(=O)C)(CI)C
SPLASH splash10-03di-0900000000-94ba7a52d991014f342a
Source of Spectrum HC-78-887-2
Wiley ID 1612679