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Di-n-heptyl Phthalate-[d4]

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General Information
Catalog: BLP-005185
CAS: 358731-41-6
Molecular Formula: C22H30D4O4
Molecular Weight: 366.53

Chemical Structure

Synonyms	1,2-Benzenedicarboxylic Acid Diheptyl Ester-d4; Phthalic Acid Diheptyl Ester-d4; Di-n-heptyl Phthalate D4
IUPAC Name	diheptyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Related CAS	3648-21-3 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])C(=O)OCCCCCCC)C(=O)OCCCCCCC)[2H])[2H]
Canonical SMILES	CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC
InChI	InChI=1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3/i11D,12D,15D,16D
InChI Key	JQCXWCOOWVGKMT-SAQXESPHSA-N
Boiling Point	396.9±10.0°C at 760 mmHg
Purity	>98%
Storage	Store at 2-8°C