Mono-(7-carboxy-4-methylheptyl) Phthalate-d4

Analyte Name

Mono-(7-carboxy-4-methylheptyl) Phthalate-d4

CAS Number

1332966-02-5

Molecular Formula

C17H18D4O6

Molecular Weight

326.38

Accurate Mass

326.17

SMILES

O=C(C1=C([2H])C([2H])=C([2H])C([2H])=C1C(O)=O)OCCCC(C)CCCC(O)=O

InChI

InChI=1S/C17H22O6/c1-12(6-4-10-15(18)19)7-5-11-23-17(22)14-9-3-2-8-13(14)16(20)21/h2-3,8-9,12H,4-7,10-11H2,1H3,(H,18,19)(H,20,21)/i2D,3D,8D,9D

IUPAC

2-(((7-carboxy-4-methylheptyl)oxy)carbonyl)benzoic-3,4,5,6-d4 acid

Unlabelled CAS Number

936022-02-5

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)