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Di-n-butyl Phthalate-[d22]

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General Information
Catalog: BLP-005181
CAS: 358731-15-4
Molecular Formula: C16D22O4
Molecular Weight: 300.48

Chemical Structure

Synonyms	Di-n-butyl Phthalate-d22
IUPAC Name	bis(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl) 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Related CAS	84-74-2 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])C(=O)OC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])C(=O)OC([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])[2H])[2H]
Canonical SMILES	CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
InChI	InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D,8D,9D,10D,11D2,12D2
InChI Key	DOIRQSBPFJWKBE-ICZXYYBKSA-N
Purity	98% by CP; 99% atom D
Solubility	Soluble in Chloroform, Methanol
Appearance	Colorless Oil
Storage	Store at 2-8°C