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4-Bromo-6,6-dimethoxy-2,4-cyclohexadien-1-one

View entire compound with spectra: 2 MS (GC)

4-Bromo-6,6-dimethoxy-2,4-cyclohexadien-1-one
SpectraBase Compound ID 8xHAdcYMiQL
InChI InChI=1S/C8H9BrO3/c1-11-8(12-2)5-6(9)3-4-7(8)10/h3-5H,1-2H3
InChIKey CIEGFQMJIQJGSS-UHFFFAOYSA-N
Mol Weight 233.06 g/mol
Molecular Formula C8H9BrO3
Exact Mass 231.973507 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BA59roxxYM
Name 4-Bromo-6,6-dimethoxycyclohexa-2,4-dienone
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 231.973507147 u
Formula C8H9BrO3
InChI InChI=1S/C8H9BrO3/c1-11-8(12-2)5-6(9)3-4-7(8)10/h3-5H,1-2H3
InChIKey CIEGFQMJIQJGSS-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.613
Molecular Weight 233.061 g/mol
Quality 225
SMILES C=1(Br)C=CC(C(C1)(OC)OC)=O
SPLASH splash10-0fb9-0960000000-a778aec9b2e1557923ca
Source of Spectrum ARK-2003-114-3b (DOI: 10.3998/ark.5550190.0004.613)
Wiley ID 1899977