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Ethyl 2-Oxo-4-phenylbutyrate-[d5]

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General Information
Catalog: BLP-010808
CAS: 1189911-53-2
Molecular Formula: C12H9D5O3
Molecular Weight: 211.27

Chemical Structure

Synonyms	α-Oxo-benzenebutanoic Acid Ethyl Ester-d5; 2-Oxo-4-phenylbutyric Acid Ethyl Ester-d5; 4-Phenyl-2-oxobutyric Acid Ethyl Ester-d5; Ethyl 2-Oxo-4-phenylbutanoate-d5; Ethyl 4-Phenyl-2-oxobutanoate-d5; Ethyl 4-Phenyl-2-oxobutyrate-d5; Ethyl Benzylpyruvate-d5
IUPAC Name	ethyl 2-oxo-4-(2,3,4,5,6-pentadeuteriophenyl)butanoate
Related CAS	64920-29-2 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])CCC(=O)C(=O)OCC)[2H])[2H]
Canonical SMILES	CCOC(=O)C(=O)CCC1=CC=CC=C1
InChI	InChI=1S/C12H14O3/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3/i3D,4D,5D,6D,7D
InChI Key	STPXIOGYOLJXMZ-DKFMXDSJSA-N
Purity	≥96%; ≥98% atom D
Solubility	Slightly soluble in Chloroform, Ethyl Acetate
Appearance	Colorless to Pale Yellow Oily Matter
Storage	Store at -20°C