2-Ethylhexyl Tetrabromophthalate-d17

Analyte Name

2-Ethylhexyl Tetrabromophthalate-d17

Molecular Formula

C16HD17Br4O4

Molecular Weight

611.03

Accurate Mass

606.9

SMILES

BrC1=C(Br)C(Br)=C(Br)C(C(O)=O)=C1C(OC([2H])([2H])C(C([2H])([2H])C([2H])([2H])[2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=O

InChI

InChI=1S/C16H18Br4O4/c1-3-5-6-8(4-2)7-24-16(23)10-9(15(21)22)11(17)13(19)14(20)12(10)18/h8H,3-7H2,1-2H3,(H,21,22)/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D

IUPAC

2,3,4,5-tetrabromo-6-(((2-(ethyl-d5)hexyl-1,1,2,3,3,4,4,5,5,6,6,6-d12)oxy)carbonyl)benzoic acid

Unlabelled CAS Number

61776-60-1

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat