Analyte Name

Monobutyl Phthalate-13C6,d4

Molecular Formula

13C6 C6 D4 H10 O4

Molecular Weight

232.218

Accurate Mass

232.134

SMILES

[2H][13c]1[13c]([2H])[13c]([2H])[13c]([13c]([13c]1[2H])C(=O)O)C(=O)OCCCC

InChI

InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)/i4+1D,5+1D,6+1D,7+1D,9+1,10+1

IUPAC

6-butoxycarbonyl-2,3,4,5-tetradeuterio(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid

Unlabelled CAS Number

131-70-4

SIL Type

Deuterium, Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat