Isotope Science / Alfa Chemistry

Bis(7-methyl-1-octyl) Phthalate-3,4,5,6-d4 (99 atom % D, min 98% Chemical Purity)

Catalog Number ACM1332965908-1
CAS 1332965-90-8
Structure Structure
Synonyms 1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, 1,2-bis(7-methyloctyl) ester, Diisononyl Phthalate-d4, Phthalic Acid Di-isononyl Ester (3,4,5,6)-D4
IUPAC Name bis(7-methyloctyl) 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Molecular Weight 422.63
Molecular Formula C26D4H38O4
Canonical SMILES [2H]c1c([2H])c([2H])c(C(=O)OCCCCCCC(C)C)c(C(=O)OCCCCCCC(C)C)c1[2H]
InChI InChI=1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3/i11D,12D,17D,18D
Accurate Mass 422.3334
Format Neat
SIL Type Deuterium
Unlabeled CAS 28553-12-0
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