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4-[2'-Bromo-5'-(methylthio)phenyl]-4-oxobutyric acid
SpectraBase Compound ID 1DouYtQ19XV
InChI InChI=1S/C11H13BrO2S/c1-15-9-5-6-10(12)8(7-9)3-2-4-11(13)14/h5-7H,2-4H2,1H3,(H,13,14)
InChIKey HDUHKNJKMGZRQR-UHFFFAOYSA-N
Mol Weight 289.19 g/mol
Molecular Formula C11H13BrO2S
Exact Mass 287.981964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BavQ6WZRrPS
Name 4-[2'-Bromo-5'-(methylthio)phenyl]-4-oxobutyric acid
Alternate Name(s) 4-[2'-Bromo-5'-(methylthio)phenyl]-butyric acid 4-[2-bromo-5-(methylthio)phenyl]butanoic acid 4-(2-bromo-5-methylsulfanylphenyl)butanoic acid 4-(2-bromo-5-methylsulfanyl-phenyl)butanoic acid 4-(2-bromanyl-5-methylsulfanyl-phenyl)butanoic acid
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Formula C11H13BrO2S
InChI InChI=1S/C11H13BrO2S/c1-15-9-5-6-10(12)8(7-9)3-2-4-11(13)14/h5-7H,2-4H2,1H3,(H,13,14)
InChIKey HDUHKNJKMGZRQR-UHFFFAOYSA-N
Molecular Weight 289.187 g/mol
SMILES OC(CCCc1c(ccc(c1)SC)Br)=O
SPLASH splash10-006c-0090000000-b8d61ffc245c9d6ba154
Source of Spectrum SK-28-3497-8
Wiley ID 880158