Isotope Science / Alfa Chemistry

Bis(8-methyl-1-nonyl) Phthalate-3,4,5,6-d4 (99 atom % D, min 98% Chemical Purity)

Catalog Number ACM1346604792-1
CAS 1346604-79-2
Structure Structure
Synonyms 1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, 1,2-bis(8-methylnonyl) ester, Diisodecyl Phthalate-d4, Phthalic Acid Di-isodecyl Ester (3,4,5,6)-D4
IUPAC Name bis(8-methylnonyl) 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Molecular Weight 450.69
Molecular Formula C28D4H42O4
Canonical SMILES [2H]c1c([2H])c([2H])c(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1[2H]
InChI InChI=1S/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3/i13D,14D,19D,20D
Accurate Mass 450.3647
Format Neat
SIL Type Deuterium
Unlabeled CAS 89-16-7
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