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(1R*,2S*,4R*)-5-Bromo-8,8-dimethoxy-7-oxobicyclo[2.2.2]oct-5-ene-2-yl cyanide
SpectraBase Compound ID BTnLy9jn5mq
InChI InChI=1S/C11H12BrNO3/c1-15-11(16-2)8-3-6(5-13)7(10(11)14)4-9(8)12/h4,6-8H,3H2,1-2H3/t6-,7-,8-/m1/s1
InChIKey SRFXBIXVKDAWPU-BWZBUEFSSA-N
Mol Weight 286.13 g/mol
Molecular Formula C11H12BrNO3
Exact Mass 285.000056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HVVtxHgegaD
Name (1R*,2S*,4R*)-5-Bromo-8,8-dimethoxy-7-oxobicyclo[2.2.2]oct-5-ene-2-yl cyanide
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Formula C11H12BrNO3
InChI InChI=1S/C11H12BrNO3/c1-15-11(16-2)8-3-6(5-13)7(10(11)14)4-9(8)12/h4,6-8H,3H2,1-2H3/t6-,7-,8-/m1/s1
InChIKey SRFXBIXVKDAWPU-BWZBUEFSSA-N
Molecular Weight 286.125 g/mol
SMILES C1([C@]2(C(=C[C@](C1=O)([H])[C@](C2)(C#N)[H])Br)[H])(OC)OC
SPLASH splash10-0a6r-4390000000-68a984aad152587ea210
Source of Spectrum F-59-4043-3f
Wiley ID 1678080