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1-(2-Bromo-3,5-dimethoxyphenyl)propan-2-one
SpectraBase Compound ID HaDr9tNus4U
InChI InChI=1S/C11H13BrO3/c1-7(13)4-8-5-9(14-2)6-10(15-3)11(8)12/h5-6H,4H2,1-3H3
InChIKey JXZLZWWCIPMNDE-UHFFFAOYSA-N
Mol Weight 273.13 g/mol
Molecular Formula C11H13BrO3
Exact Mass 272.004807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LuwtcYYGx0V
Name 1-(2-Bromo-3,5-dimethoxyphenyl)propan-2-one
Appearance Pale brown solid
Carrier Gas Helium
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Exact Mass 272.004807276 u
Formula C11H13BrO3
InChI InChI=1S/C11H13BrO3/c1-7(13)4-8-5-9(14-2)6-10(15-3)11(8)12/h5-6H,4H2,1-3H3
InChIKey JXZLZWWCIPMNDE-UHFFFAOYSA-N
Instrument Name ThermoFinnigan MAT95XL
Ionization Type EI
Literature Reference DOI 10.1002/anie.201510709
Quality 73
Reported Formula C11H13BrO3
SMILES C1(Br)=C(C=C(C=C1OC)OC)CC(C)=O
SPLASH splash10-0006-0930000000-5e74841207a1d5103d33
Source of Spectrum ACI-55-SM3-7 (DOI: 10.1002/anie.201510709)
Thin-Layer Chromatography 0.39 (petroleum ether/EtOAc, 3:1)
Wiley ID 1895317