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(3a.alpha.,4.alpha.,8a.beta.)-(+-)-7-Bromo-3,3a,4,5,8,8a-hexahydro-3a,4-dihydroxy-8-methyl-1-(2H)-azulenone
SpectraBase Compound ID E6WUucTe4kl
InChI InChI=1S/C11H15BrO3/c1-10-6-7(12)2-3-9(14)11(10,15)5-4-8(10)13/h2,9,14-15H,3-6H2,1H3/t9-,10-,11-/m0/s1
InChIKey ZSSYJRPCCWUQKB-DCAQKATOSA-N
Mol Weight 275.14 g/mol
Molecular Formula C11H15BrO3
Exact Mass 274.020457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CrSSJGDq5zt
Name (3a.alpha.,4.alpha.,8a.beta.)-(+-)-7-Bromo-3,3a,4,5,8,8a-hexahydro-3a,4-dihydroxy-8-methyl-1-(2H)-azulenone
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Formula C11H15BrO3
InChI InChI=1S/C11H15BrO3/c1-10-6-7(12)2-3-9(14)11(10,15)5-4-8(10)13/h2,9,14-15H,3-6H2,1H3/t9-,10-,11-/m0/s1
InChIKey ZSSYJRPCCWUQKB-DCAQKATOSA-N
Molecular Weight 275.142 g/mol
SMILES O[C@]1(CC=C(C[C@@]2([C@@]1(CCC2=O)O)C)Br)[H]
SPLASH splash10-004i-0590000000-b21a9b759de82467ddde
Source of Spectrum J-63-7838-20
Synonyms (3aR,4S,8aR)-7-Bromo-3a,4-dihydroxy-8a-methyl-3,3a,4,5,8,8a-hexahydro-2H-azulen-1-one (3aS,4R,8aS)-7-bromo-3a,4-dihydroxy-8-methyl-3,3a,4,5,8,8a-hexahydro-1(2H)-azulenone
Wiley ID 1277684