Analyte Name

2-Cyano-2-ethyl-3-methylhexanoic Acid Ethyl Ester-d5

Molecular Formula

C12 D5 H16 N O2

Molecular Weight

216.332

Accurate Mass

216.189

SMILES

[2H]C([2H])([2H])C([2H])([2H])C(C#N)(C(C)CCC)C(=O)OCC

InChI

InChI=1S/C12H21NO2/c1-5-8-10(4)12(6-2,9-13)11(14)15-7-3/h10H,5-8H2,1-4H3/i2D3,6D2

IUPAC

ethyl 2-cyano-3-methyl-2-(1,1,2,2,2-pentadeuterioethyl)hexanoate

Unlabelled CAS Number

100453-11-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat