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7-Acetyl-5-bromo-3,3-dimethoxy-6-methylbicyclo[2.2.2]oct-5-ene-2-one
SpectraBase Compound ID 2SteXYLwdN
InChI InChI=1S/C13H17BrO4/c1-6-10-8(7(2)15)5-9(11(6)14)13(17-3,18-4)12(10)16/h8-10H,5H2,1-4H3/t8-,9-,10-/m0/s1
InChIKey BNTXHMIBXYLHRY-GUBZILKMSA-N
Mol Weight 317.18 g/mol
Molecular Formula C13H17BrO4
Exact Mass 316.031022 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IUI8BgLoxVC
Name 7-Acetyl-5-bromo-3,3-dimethoxy-6-methylbicyclo[2.2.2]oct-5-ene-2-one
Alternate Name(s) (1R*,4R*,7S*)-7-Acetyl-5-bromo-3,3-dimethoxy-6-methylbicyclo[2.2.2]oct-5-ene-2-one 7-Acetyl-5-bromo-3,3-dimethoxy-6-methylbicyclo[2.2.2]oct-5-en-2-one
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Formula C13H17BrO4
InChI InChI=1S/C13H17BrO4/c1-6-10-8(7(2)15)5-9(11(6)14)13(17-3,18-4)12(10)16/h8-10H,5H2,1-4H3/t8-,9-,10-/m0/s1
InChIKey BNTXHMIBXYLHRY-GUBZILKMSA-N
Molecular Weight 317.179 g/mol
SMILES [C@]12(C(C(=O)[C@]([C@@](C2)(C(=O)C)[H])(C(=C1Br)C)[H])(OC)OC)[H]
SPLASH splash10-004v-3090000000-2b536cda9807c52d71fd
Source of Spectrum J-67-6500-27
Wiley ID 1570843