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2-Bromo-11.beta.-cyanotricyclo[6.2.2.0(1,5)]dodecane-2,5,9-triene-4,7-dione
SpectraBase Compound ID LhqI1537wrn
InChI InChI=1S/C13H8BrNO2/c14-12-5-11(17)9-4-10(16)7-1-2-13(9,12)8(3-7)6-15/h1-2,4-5,7-8H,3H2/t7?,8-,13?/m1/s1
InChIKey OXCSNZSWEDBANU-LPATWVRLSA-N
Mol Weight 290.12 g/mol
Molecular Formula C13H8BrNO2
Exact Mass 288.973841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9HQoYomsyFz
Name 2-Bromo-11.beta.-cyanotricyclo[6.2.2.0(1,5)]dodecane-2,5,9-triene-4,7-dione
Alternate Name(s) (10S)-2-bromo-4,7-dioxotricyclo[6.2.2.0(1,5)]dodeca-2,5,11-triene-10-carbonitrile
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Formula C13H8BrNO2
InChI InChI=1S/C13H8BrNO2/c14-12-5-11(17)9-4-10(16)7-1-2-13(9,12)8(3-7)6-15/h1-2,4-5,7-8H,3H2/t7?,8-,13?/m1/s1
InChIKey OXCSNZSWEDBANU-LPATWVRLSA-N
Molecular Weight 290.116 g/mol
SMILES C=12C3(C(Br)=CC2=O)[C@@](C#N)(CC(C(C1)=O)C=C3)[H]
SPLASH splash10-0imi-1950000000-b4cb638af89895d8f3e9
Source of Spectrum KC-0-3223-26
Wiley ID 826620