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methyl 2-bromo-6-(3-oxobutyl)benzoate
SpectraBase Compound ID IOD65eNCcxG
InChI InChI=1S/C12H13BrO3/c1-8(14)6-7-9-4-3-5-10(13)11(9)12(15)16-2/h3-5H,6-7H2,1-2H3
InChIKey GMWIERFJZGDYRH-UHFFFAOYSA-N
Mol Weight 285.14 g/mol
Molecular Formula C12H13BrO3
Exact Mass 284.004807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GA7SMWesnAG
Name methyl 2-bromo-6-(3-oxobutyl)benzoate
Appearance Colorless liquid
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Exact Mass 284.004807276 u
Formula C12H13BrO3
GC Column HP-5
GC Oven Program Oven temp 300oC
InChI InChI=1S/C12H13BrO3/c1-8(14)6-7-9-4-3-5-10(13)11(9)12(15)16-2/h3-5H,6-7H2,1-2H3
InChIKey GMWIERFJZGDYRH-UHFFFAOYSA-N
Instrument Name Agilent GC-MS 5977B MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.201800757
Reported Formula C12H13O3Br
SMILES COC(C1=C(C=CC=C1CCC(C)=O)Br)=O
SPLASH splash10-03di-0090000000-ff776bfe24a3aad68479
Source of Spectrum QE-24-SM13-3ga (DOI: 10.1002/chem.201800757)
Wiley ID 1900148