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1,2-Benzenedicarboxylic Acid 1-(7-Methyloctyl) Ester-[d4]

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General Information
Catalog: BLP-006263
CAS: 1332965-96-4
Molecular Formula: C17H20D4O4
Molecular Weight: 296.39

Chemical Structure

Synonyms	1,2-Benzenedicarboxylic Acid 1-(7-Methyloctyl) Ester-d4; 1,2-Benzenedicarboxylic Acid Mono(7-methyloctyl) Ester-d4; 7-Methyl-1-Octanol Phthalate-d4; 1-(7-Methyloctyl) hydrogen 1,2-benzene-3,4,5,6-d4-dicarboxylate
IUPAC Name	2,3,4,5-tetradeuterio-6-(7-methyloctoxycarbonyl)benzoic acid
Related CAS	106610-61-1 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])C(=O)O)C(=O)OCCCCCCC(C)C)[2H])[2H]
Canonical SMILES	CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)O
InChI	InChI=1S/C17H24O4/c1-13(2)9-5-3-4-8-12-21-17(20)15-11-7-6-10-14(15)16(18)19/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,18,19)/i6D,7D,10D,11D
InChI Key	RNCMBSSLYOAVRT-NWUDIVGLSA-N
Purity	95%; ≥99% atom D
Solubility	Slightly soluble in Chloroform, Ethyl Acetate, Methanol
Appearance	Hazy White Oily Matter
Storage	Store at -20°C