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Diethyl malonate-[1,2,3-13C3]

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General Information
Catalog: BLP-011108
CAS: 53051-81-3
Molecular Formula: C4[13C]3H12O4
Molecular Weight: 163.15

Chemical Structure

Description	Diethyl malonate-[1,2,3-13C3] is a labelled compound of Diethyl Malonate. Acylation of diethyl malonate using magnesium chloride and triethylamine is reported.
Synonyms	13C Labeled diethyl malonate; 13C Labeled diethyl malonic acid; Malonic acid diethyl ester-13C3
IUPAC Name	diethyl (1,2,3-13C3)propanedioate
Related CAS	105-53-3 (unlabelled)
Isomeric SMILES	CCO[13C](=O)[13CH2][13C](=O)OCC
Canonical SMILES	CCOC(=O)CC(=O)OCC
InChI	InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3/i5+1,6+1,7+1
InChI Key	IYXGSMUGOJNHAZ-SVFBATFISA-N
Boiling Point	199°C (lit.)
Melting Point	−51-−50°C (lit.)
Purity	99% by CP; 99% atom 13C
Density	1.074 g/mL at 25°C
Appearance	Yellow Oil