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Ethyl 2-(2-bromo-3-methylphenyl)-2-methylpropanoate
SpectraBase Compound ID JazXdnEED2b
InChI InChI=1S/C13H17BrO2/c1-5-16-12(15)13(3,4)10-8-6-7-9(2)11(10)14/h6-8H,5H2,1-4H3
InChIKey PLBISAFAPFBPOE-UHFFFAOYSA-N
Mol Weight 285.18 g/mol
Molecular Formula C13H17BrO2
Exact Mass 284.041193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYyojITNoql
Name Ethyl 2-(2-bromo-3-methylphenyl)-2-methylpropanoate
Appearance Colorless oil
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Formula C13H17BrO2
InChI InChI=1S/C13H17BrO2/c1-5-16-12(15)13(3,4)10-8-6-7-9(2)11(10)14/h6-8H,5H2,1-4H3
InChIKey PLBISAFAPFBPOE-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C VL/5975 GC
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c00617
Reported Formula C13H17BrO2
SMILES c1cc(c(c(c1)C)Br)C(C)(C(=O)OCC)C
SPLASH splash10-0002-0940000000-4e5dc4f009032f8589f4
Source of Spectrum A1-23-SM9-1l
Thin-Layer Chromatography Rf = 0.35 (silica, petroleum ether/ethyl acetate, 20:1)
Wiley ID 1868159