Analyte Name

Azelaic Acid 2-Ethylhexyl Ester-d17

Molecular Formula

C17H16D16O4

Molecular Weight

316.53

Accurate Mass

316.33

SMILES

O=C(CCCCCCCC(O)=O)OC([2H])([2H])C(C([2H])C([2H])([2H])[2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

InChI

InChI=1S/C17H32O4/c1-3-5-11-15(4-2)14-21-17(20)13-10-8-6-7-9-12-16(18)19/h15H,3-14H2,1-2H3,(H,18,19)/i1D3,2D3,3D2,4D,5D2,11D2,14D2,15D

IUPAC

9-((2-(ethyl-1,2,2,2-d4)hexyl-1,1,2,3,3,4,4,5,5,6,6,6-d12)oxy)-9-oxononanoic acid

Unlabelled CAS Number

13050-58-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat