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[3aS-(3aalpha,5abeta,6abeta,6balpha)]-4-Bromo-3a,5a,6a,6b-tetrahydro-2,2-dimethyloxireno[e]-1,3-benzodioxole
SpectraBase Compound ID Dz4dA6NewfK
InChI InChI=1S/C9H11BrO3/c1-9(2)12-6-4(10)3-5-7(11-5)8(6)13-9/h3,5-8H,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKey IJFOOAYHPAECGI-WCTZXXKLSA-N
Mol Weight 247.09 g/mol
Molecular Formula C9H11BrO3
Exact Mass 245.989157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ib5LTw8UEey
Name 3-Bromo-4,5-[O,O-isopropylidene]-7-oxabicyclo[4.1.0]hept-2-ene
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Formula C9H11BrO3
InChI InChI=1S/C9H11BrO3/c1-9(2)12-6-4(10)3-5-7(11-5)8(6)13-9/h3,5-8H,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKey IJFOOAYHPAECGI-WCTZXXKLSA-N
Molecular Weight 247.088 g/mol
SMILES [C@@]12(O[C@@]2(C=C([C@@]2([C@]1(OC(C)(C)O2)[H])[H])Br)[H])[H]
SPLASH splash10-053r-2890000000-446a6f86ca21860367e1
Source of Spectrum F3-31-235-16
Synonyms (3aS,5aR,6aR,6bS)-4-bromanyl-2,2-dimethyl-3a,5a,6a,6b-tetrahydrooxireno[2,3-g][1,3]benzodioxole
Wiley ID 1565526