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4-(3-bromo-4-methoxy-phenyl)-2-keto-butyric acid methyl ester
SpectraBase Compound ID CgfRzf4HKSq
InChI InChI=1S/C12H13BrO4/c1-16-11-6-4-8(7-9(11)13)3-5-10(14)12(15)17-2/h4,6-7H,3,5H2,1-2H3
InChIKey FUBVPESGJVVIOR-UHFFFAOYSA-N
Mol Weight 301.14 g/mol
Molecular Formula C12H13BrO4
Exact Mass 299.999722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6GXervU7ixP
Name 4-(3-bromo-4-methoxy-phenyl)-2-keto-butyric acid methyl ester
Alternate Name(s) 4-(3-bromo-4-methoxyphenyl)-2-oxobutanoic acid methyl ester Methyl 4-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-butanoate Methyl 4-(3-bromo-4-methoxy-phenyl)-2-oxo-butanoate
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Formula C12H13BrO4
InChI InChI=1S/C12H13BrO4/c1-16-11-6-4-8(7-9(11)13)3-5-10(14)12(15)17-2/h4,6-7H,3,5H2,1-2H3
InChIKey FUBVPESGJVVIOR-UHFFFAOYSA-N
Molecular Weight 301.136 g/mol
SMILES C(C(=O)CCc1cc(Br)c(cc1)OC)(=O)OC
SPLASH splash10-0udj-0595000000-138d468c064910e557f0
Source of Spectrum J-66-3609-6
Wiley ID 1535771