Benzyl Butyl Phthalate-d4

Analyte Name

Phthalic acid, benzylbutyl ester (3,4,5,6) D4

CAS Number

93951-88-3

Molecular Formula

C19 2H4 H16 O4

Molecular Weight

316.38

Accurate Mass

316.1613

SMILES

[2H]c1c([2H])c([2H])c(C(=O)OCc2ccccc2)c(C(=O)OCCCC)c1[2H]

InChI

InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3/i7D,8D,11D,12D

IUPAC

2-O-benzyl 1-O-butyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate

Unlabelled CAS Number

85-68-7

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat

Purity

>95% (HPLC)