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7-Oxabicyclo[4.1.0]hept-3-en-2-one, 5-(acetyloxy)-3-bromo-, [1R-(1.alpha.,5.alpha.,6.alpha.)]-
SpectraBase Compound ID 4A8ZXCWtHbw
InChI InChI=1S/C8H7BrO4/c1-3(10)12-5-2-4(9)6(11)8-7(5)13-8/h2,5,7-8H,1H3/t5-,7+,8-/m0/s1
InChIKey FJTLMWNXXNWNHY-ARDNSNSESA-N
Mol Weight 247.04 g/mol
Molecular Formula C8H7BrO4
Exact Mass 245.952772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JynFOGF6ept
Name 7-Oxabicyclo[4.1.0]hept-3-en-2-one, 5-(acetyloxy)-3-bromo-, [1R-(1.alpha.,5.alpha.,6.alpha.)]-
CAS Registry Number 110786-62-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7BrO4
InChI InChI=1S/C8H7BrO4/c1-3(10)12-5-2-4(9)6(11)8-7(5)13-8/h2,5,7-8H,1H3/t5-,7+,8-/m0/s1
InChIKey FJTLMWNXXNWNHY-ARDNSNSESA-N
Molecular Weight 247.044 g/mol
SMILES [C@@]12([C@]([C@@](OC(=O)C)(C=C(C2=O)Br)[H])([H])O1)[H]
SPLASH splash10-0006-8930000000-0a3e9a56d3d52009a156
Source of Spectrum F-43-1068-14
Synonyms (4S,5R,6R)-4-acetoxy-2-bromo-5,6-epoxycyclohex-2-enone Acetic acid[(1R,2S,6R)-4-bromo-5-keto-7-oxabicyclo[4.1.0]hept-3-en-2-yl]ester Acetic acid[(1R,2S,6R)-4-bromo-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]ester [(1R,2S,6R)-4-bromanyl-5-oxidanylidene-7-oxabicyclo[4.1.0]hept-3-en-2-yl]ethanoate [(1R,2S,6R)-4-bromo-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]acetate Acetic acid [(1R,2S,6R)-4-bromo-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl] ester [(1R,2S,6R)-4-bromo-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl] acetate [(1R,2S,6R)-4-bromanyl-5-oxidanylidene-7-oxabicyclo[4.1.0]hept-3-en-2-yl] ethanoate
Wiley ID 1248323