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5-Bromo-1,3-benzenediacetic Acid
SpectraBase Compound ID 35SbPo5FHDL
InChI InChI=1S/C10H9BrO4/c11-8-2-6(4-9(12)13)1-7(3-8)5-10(14)15/h1-3H,4-5H2,(H,12,13)(H,14,15)
InChIKey XWBCRKXBZYZKJW-UHFFFAOYSA-N
Mol Weight 273.08 g/mol
Molecular Formula C10H9BrO4
Exact Mass 271.968422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ft7rEashm6i
Name 5-Bromo-1,3-benzenediacetic Acid
Alternate Name(s) [3-bromo-5-(carboxymethyl)phenyl]acetic acid
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Formula C10H9BrO4
InChI InChI=1S/C10H9BrO4/c11-8-2-6(4-9(12)13)1-7(3-8)5-10(14)15/h1-3H,4-5H2,(H,12,13)(H,14,15)
InChIKey XWBCRKXBZYZKJW-UHFFFAOYSA-N
Molecular Weight 273.082 g/mol
SMILES OC(Cc1cc(CC(=O)O)cc(c1)Br)=O
SPLASH splash10-0fha-0590000000-f115bd33cd1278cd808f
Source of Spectrum C-119-7299-3b
Wiley ID 1699275