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Methyl (1R*,4S*,7R*,8S*)-7-methyl-2,5-dioxobicyclo[2.2.2]octane-8-carboxylate 5-ethylene ketal
SpectraBase Compound ID 3bdeaccyGDB
InChI InChI=1S/C13H18O5/c1-7-8-6-13(17-3-4-18-13)9(5-10(8)14)11(7)12(15)16-2/h7-9,11H,3-6H2,1-2H3/t7-,8-,9+,11+/m1/s1
InChIKey NPEUNQHKLVFALQ-REIXXSIJSA-N
Mol Weight 254.28 g/mol
Molecular Formula C13H18O5
Exact Mass 254.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2DqwEoV3Gi
Name Methyl (1R*,4S*,7R*,8S*)-7-methyl-2,5-dioxobicyclo[2.2.2]octane-8-carboxylate 5-ethylene ketal
Alternate Name(s) Methyl (1S,4R,7S,8R)-8-methyl-5-oxospiro[bicyclo[2.2.2]octane-2,2'-[1,3]dioxolane]-7-carboxylate
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Formula C13H18O5
InChI InChI=1S/C13H18O5/c1-7-8-6-13(17-3-4-18-13)9(5-10(8)14)11(7)12(15)16-2/h7-9,11H,3-6H2,1-2H3/t7-,8-,9+,11+/m1/s1
InChIKey NPEUNQHKLVFALQ-REIXXSIJSA-N
Molecular Weight 254.282 g/mol
SMILES C12([C@@]3([C@@](C(=O)OC)([C@@]([C@@](C2)(C(=O)C3)[H])(C)[H])[H])[H])OCCO1
SPLASH splash10-0udj-3920000000-52bf259d733abf3691e3
Source of Spectrum QA-41-193-10
Wiley ID 861831