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Di-n-hexyl Phthalate-3,4,5,6-d4

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For Research Use Only | Not For Clinical Use
CATAPS1015854553
CAS1015854-55-3
Structure
Synonyms1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, 1,2-dihexyl ester, Phthalic Acid Di-n-hexyl Ester (3,4,5,6)-D4, Phthalic acid, bis-hexyl ester D4
IUPAC Namedihexyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Molecular Weight338.47
Molecular FormulaC202H4H26O4
Canonical SMILES[2H]c1c([2H])c([2H])c(C(=O)OCCCCCC)c(C(=O)OCCCCCC)c1[2H]
InChIInChI=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
Accurate Mass338.2395
FormatNeat
SubcategoryPhthalates, Stable isotope labelled compounds
TypeStable Isotope Labelled
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