Analyte Name

alpha,alpha,alpha',alpha'-(Tetramethyl-d12)-5-bromomethyl-1,3-benzenediacetonitrile

CAS Number

1185016-59-4

Molecular Formula

C15H5D12BrN2

Molecular Weight

317.29

Accurate Mass

316.1328

SMILES

[2H]C([2H])([2H])C(C#N)(c1cc(CBr)cc(c1)C(C#N)(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])([2H])[2H]

InChI

InChI=1S/C15H17BrN2/c1-14(2,9-17)12-5-11(8-16)6-13(7-12)15(3,4)10-18/h5-7H,8H2,1-4H3/i1D3,2D3,3D3,4D3

IUPAC

2-[3-(bromomethyl)-5-(2-cyano-1,1,1,3,3,3-hexadeuteriopropan-2-yl)phenyl]-3,3,3-trideuterio-2-(trideuteriomethyl)propanenitrile

Alternate CAS Number

120511-84-4

Unlabelled CAS Number

120511-84-4

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; API

Product Format

Neat