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1-Bromo-6-hydroxy-5-[(4'-methoxyphenyl)methoxy]bicyclo[2.2.2]octan-2-one ethylene acetal
SpectraBase Compound ID 5IkmWhLxhEY
InChI InChI=1S/C18H23BrO5/c1-21-14-4-2-12(3-5-14)11-22-15-13-6-7-17(19,16(15)20)18(10-13)23-8-9-24-18/h2-5,13,15-16,20H,6-11H2,1H3/t13-,15-,16-,17+/m1/s1
InChIKey YCSXNDWKCHJDPY-DZUCGIPZSA-N
Mol Weight 399.28 g/mol
Molecular Formula C18H23BrO5
Exact Mass 398.072887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JAWz5NtGCk2
Name 1-Bromo-6-hydroxy-5-[(4'-methoxyphenyl)methoxy]bicyclo[2.2.2]octan-2-one ethylene acetal
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Formula C18H23BrO5
InChI InChI=1S/C18H23BrO5/c1-21-14-4-2-12(3-5-14)11-22-15-13-6-7-17(19,16(15)20)18(10-13)23-8-9-24-18/h2-5,13,15-16,20H,6-11H2,1H3/t13-,15-,16-,17+/m1/s1
InChIKey YCSXNDWKCHJDPY-DZUCGIPZSA-N
Molecular Weight 399.281 g/mol
SMILES O[C@]1([C@@]2(C3(C[C@@](CC2)([C@]1(OCc1ccc(cc1)OC)[H])[H])OCCO3)Br)[H]
SPLASH splash10-00di-0900000000-71351fe6b1838a5ad9cf
Source of Spectrum K-2001-2199-8
Synonyms (1R,4R,5S,6S)-1-Bromo-6-hydroxy-5-[(4'-methoxyphenyl)methoxy]bicyclo[2.2.2]octan-2-one ethylene acetal 1-Bromo-8-[(4-methoxyphenyl)methoxy]spiro[bicyclo[2.2.2]octane-2,2'-[1,3]dioxolane]-7-ol
Wiley ID 1579628