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Metalaxyl-(phenyl-[13C6])

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General Information
Catalog: BLP-001027
CAS: 1356199-69-3
Molecular Formula: C9[13C]6H21NO4
Molecular Weight: 285.29

Chemical Structure

Description	Labelled form of Metalaxyl. Metalaxyl is an agricultural fungicide used in food crops, shrubs and turf.
Synonyms	N-(2,6-Dimethylphenyl-13C6)-N-(2-methoxyacetyl)alanine Methyl Ester; (+/-)-Metalaxyl-13C6; Allegiance-13C6; Apron-13C6; Metanaxin-13C6; Metasyl-13C6; Metaxanine-13C6; Methyl N-Methoxyacetyl-N-(2,6-dimethylphenyl)-DL-alaninate-13C6; Ridomil-13C6
IUPAC Name	methyl 2-[(2,6-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-(2-methoxyacetyl)amino]propanoate
Related CAS	57837-19-1 (unlabelled)
Canonical SMILES	CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC
InChI	InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/i6+1,7+1,8+1,10+1,11+1,14+1
InChI Key	ZQEIXNIJLIKNTD-HEYPXIGASA-N
Melting Point	69-73 °C
Purity	98% by CP; 99% atom 13C
Storage	−20°C