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Ethyl acetoacetate-[1,2,3,4-13C4]

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General Information
Catalog: BLP-009272
CAS: 84508-55-4
Molecular Formula: C2[13C]4H10O3
Molecular Weight: 134.11

Chemical Structure

Description	Ethyl acetoacetate-[1,2,3,4-13C4] is the labelled analogue of Ethyl Acetate, which is a chemical intermediate used in the production of various analgesics, antibiotics and antimalarial agents.
IUPAC Name	ethyl 3-oxo(1,2,3,4-13C4)butanoate
Related CAS	141-97-9 (unlabelled)
Isomeric SMILES	CCO[13C](=O)[13CH2][13C](=O)[13CH3]
Canonical SMILES	CCOC(=O)CC(=O)C
InChI	InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3/i2+1,4+1,5+1,6+1
InChI Key	XYIBRDXRRQCHLP-XMUWKQMQSA-N
Boiling Point	181°C (lit.)
Melting Point	−43°C (lit.)
Purity	99% by CP; 99% atom 13C
Density	1.060 g/cm3
Appearance	Liquid