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(1R,3S,4S,5S,6S)-5-Bromo-3-hydroxy-9-methoxy-4,9-dimethyl-7-oxabicyclo[4.3.0]nonane isomer
SpectraBase Compound ID C9tOX5xNEem
InChI InChI=1S/C11H19BrO3/c1-6-8(13)4-7-10(9(6)12)15-5-11(7,2)14-3/h6-10,13H,4-5H2,1-3H3/t6-,7+,8-,9-,10-,11?/m0/s1
InChIKey XANVSWMTYHEERU-FXKQWWGHSA-N
Mol Weight 279.17 g/mol
Molecular Formula C11H19BrO3
Exact Mass 278.051757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FeuVzp3aLfS
Name (1R,3S,4S,5S,6S)-5-Bromo-3-hydroxy-9-methoxy-4,9-dimethyl-7-oxabicyclo[4.3.0]nonane isomer
Alternate Name(s) (1R,3S,4S,5S,6S)-5-Bromo-3-hydroxy-9-methoxy-4,9-dimethyl-7-oxabicyclo[4.3.0]nonane (3aR,5S,6S,7S,7aS)-7-bromo-3-methoxy-3,6-dimethyloctahydro-1-benzofuran-5-ol
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Formula C11H19BrO3
InChI InChI=1S/C11H19BrO3/c1-6-8(13)4-7-10(9(6)12)15-5-11(7,2)14-3/h6-10,13H,4-5H2,1-3H3/t6-,7+,8-,9-,10-,11?/m0/s1
InChIKey XANVSWMTYHEERU-FXKQWWGHSA-N
Molecular Weight 279.174 g/mol
SMILES O[C@@]1([C@](C)([C@@]([C@@]2([C@@](C1)(C(CO2)(OC)C)[H])[H])(Br)[H])[H])[H]
SPLASH splash10-0frj-4900000000-1a708ae6f9ff016800dc
Source of Spectrum E1-39-2521-36
Wiley ID 1519038