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Di-n-hexyl phthalate-[d4]

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General Information
Catalog: BLP-000369
CAS: 1015854-55-3
Molecular Formula: C20H26D4O4
Molecular Weight: 338.5

Chemical Structure

Synonyms	Di-n-hexyl phthalate-D4; Dihexyl phthalate-3,4,5,6-d4
IUPAC Name	dihexyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Related CAS	84-75-3 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])C(=O)OCCCCCC)C(=O)OCCCCCC)[2H])[2H]
Canonical SMILES	CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC
InChI	InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3/i9D,10D,13D,14D
InChI Key	KCXZNSGUUQJJTR-LSQQNFJSSA-N
Appearance	Liquid