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7-Acetyl-5-bromo-3,3-dimethoxybicyclo[2.2.2]oct-5-ene-2-one
SpectraBase Compound ID DKg1sHJXCf2
InChI InChI=1S/C12H15BrO4/c1-6(14)7-4-9-10(13)5-8(7)11(15)12(9,16-2)17-3/h5,7-9H,4H2,1-3H3/t7-,8-,9-/m0/s1
InChIKey AUCHXSUIYVGSIB-CIUDSAMLSA-N
Mol Weight 303.15 g/mol
Molecular Formula C12H15BrO4
Exact Mass 302.015372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KCYBHsw9oN5
Name 7-Acetyl-5-bromo-3,3-dimethoxybicyclo[2.2.2]oct-5-ene-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15BrO4
InChI InChI=1S/C12H15BrO4/c1-6(14)7-4-9-10(13)5-8(7)11(15)12(9,16-2)17-3/h5,7-9H,4H2,1-3H3/t7-,8-,9-/m0/s1
InChIKey AUCHXSUIYVGSIB-CIUDSAMLSA-N
Molecular Weight 303.152 g/mol
SMILES C1([C@@]2(C(Br)=C[C@](C1=O)([C@](C(=O)C)(C2)[H])[H])[H])(OC)OC
SPLASH splash10-003u-5090000000-01e474c8a24a38677f88
Source of Spectrum J-67-6500-25
Synonyms (1S*,4R*,7S*)-7-Acetyl-5-bromo-3,3-dimethoxybicyclo[2.2.2]oct-5-ene-2-one 7-Acetyl-5-bromo-3,3-dimethoxybicyclo[2.2.2]oct-5-en-2-one
Wiley ID 1570849