Analyte Name

rac Mono(2-ethyl-5-oxohexyl) Phthalate-13C6

CAS Number

2727061-41-6

Molecular Formula

13C6 C10 H20 O5

Molecular Weight

298.283

Accurate Mass

298.151

SMILES

CCC(CCC(=O)C)COC(=O)[13c]1[13cH][13cH][13cH][13cH][13c]1C(=O)O

InChI

InChI=1S/C16H20O5/c1-3-12(9-8-11(2)17)10-21-16(20)14-7-5-4-6-13(14)15(18)19/h4-7,12H,3,8-10H2,1-2H3,(H,18,19)/i4+1,5+1,6+1,7+1,13+1,14+1

IUPAC

6-(2-ethyl-5-oxohexoxy)carbonyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid

Unlabelled CAS Number

40321-98-0

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat