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Acetophenone-[α,β-13C2]

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General Information
Catalog: BLP-010985
CAS: 190314-15-9
Molecular Formula: C6[13C]2H8O
Molecular Weight: 122.13

Chemical Structure

Description	Acetophenone-[α,β-13C2] is an intermediate in synthesizing Ibuprofen-[13C6], a labelled Ibuprofen. It is a selective cyclooxygenase inhibitor (IC50=14.9uM).
Synonyms	Acetophenone-1,2-13C2; Acetophenone-α,β-13C2
IUPAC Name	1-phenyl(1,2-13C2)ethanone
Related CAS	98-86-2 (unlabelled)
Canonical SMILES	CC(=O)C1=CC=CC=C1
InChI	InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3/i1+1,7+1
InChI Key	KWOLFJPFCHCOCG-SPBYTNOZSA-N
Boiling Point	202°C (lit.)
Melting Point	19-20°C (lit.)
Purity	99% by CP; 99% atom 13C
Density	1.047 g/mL at 25°C
Solubility	Soluble in Chloroform
Appearance	Clear Yellow Oil
Storage	Store at -20°C