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3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylcarboxylic Acid Methyl Ester-[13C4]

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General Information
Catalog: BLP-006353
CAS: 1391052-23-5
Molecular Formula: C8[13C]4H9Cl2NO3
Molecular Weight: 290.08

Chemical Structure

Description	3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylcarboxylic Acid Methyl Ester-[13C4] is the labelled analogue of 3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylcarboxylic Acid Methyl Ester, which is used in the preparation of isoxazolyl penicillin derivatives.
Synonyms	3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylcarboxylic-13C4 Acid Methyl Ester; Methyl 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate-13C4; methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate-13C4; Methyl 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate-13C4
IUPAC Name	methyl 3-(2,6-dichlorophenyl)-5-(1-13C)methyl-(4,5-13C2)1,2-oxazole-4-carboxylate-13C
Related CAS	4402-83-9 (unlabelled)
Canonical SMILES	CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)OC
InChI	InChI=1S/C12H9Cl2NO3/c1-6-9(12(16)17-2)11(15-18-6)10-7(13)4-3-5-8(10)14/h3-5H,1-2H3/i1+1,6+1,9+1,12+1
InChI Key	YPCASVCAZYPZOI-DMBDGDEGSA-N
Purity	98%
Solubility	Soluble in Chloroform, Ethyl Acetate
Appearance	Off-white Solid