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Methyl 2-(5-Bromo-2-methylthiophen-3-yl)-2-oxoacetate
SpectraBase Compound ID C2VgzZSjg3p
InChI InChI=1S/C8H7BrO3S/c1-4-5(3-6(9)13-4)7(10)8(11)12-2/h3H,1-2H3
InChIKey GWDJVJGNPWKMEM-UHFFFAOYSA-N
Mol Weight 263.1 g/mol
Molecular Formula C8H7BrO3S
Exact Mass 261.929928 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 67T2HCeTzkk
Name Methyl 2-(5-Bromo-2-methylthiophen-3-yl)-2-oxoacetate
Appearance Yellow solid
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Exact Mass 261.929928256 u
Formula C8H7BrO3S
InChI InChI=1S/C8H7BrO3S/c1-4-5(3-6(9)13-4)7(10)8(11)12-2/h3H,1-2H3
InChIKey GWDJVJGNPWKMEM-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800101
Molecular Weight 263.105 g/mol
SMILES COC(C(=O)C1=C(SC(=C1)Br)C)=O
SPLASH splash10-0pb9-0090000000-f55978e70ef427e02d3b
Source of Spectrum K1-2018-2599-14 (DOI: 10.1002/ejoc.201800101)
Thin-Layer Chromatography 0.43 (cyclohexane/ethyl acetate, 5:1)
Wiley ID 1894034