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m-Isobutyl Ibuprofen-[d3]

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General Information
Catalog: BLP-013653
CAS: 1346598-90-0
Molecular Formula: C13H15D3O2
Molecular Weight: 209.30

Chemical Structure

Description	M-Isobutyl Ibuprofen-[d3] is a labelled impurity of Ibuprofen.
Synonyms	α-(Methyl-d3)-3-(2-methylpropyl)benzeneacetic Acid; α-(3-Isobutylphenyl)propionic Acid-d3; α-(Methyl-d3)-3-(2-methylpropyl)phenylacetic Acid; 2-(3-Isobutylphenyl)propionic Acid-d3
IUPAC Name	3,3,3-trideuterio-2-[3-(2-methylpropyl)phenyl]propanoic acid
Related CAS	66622-47-7 (unlabelled)
Canonical SMILES	CC(C)CC1=CC(=CC=C1)C(C)C(=O)O
InChI	InChI=1S/C13H18O2/c1-9(2)7-11-5-4-6-12(8-11)10(3)13(14)15/h4-6,8-10H,7H2,1-3H3,(H,14,15)/i3D3
InChI Key	SFVKLYXPBKITCE-HPRDVNIFSA-N