Myclobutanil-d9

Analyte Name

Myclobutanil-d9

Molecular Formula

C15 D9 H8 Cl N4

Molecular Weight

297.831

Accurate Mass

297.171

SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(Cn1cncn1)(C#N)c2ccc(Cl)cc2

InChI

InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3/i1D3,2D2,3D2,8D2

IUPAC

2-(4-chlorophenyl)-3,3,4,4,5,5,6,6,6-nonadeuterio-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile

Unlabelled CAS Number

88671-89-0

SIL Type

Deuterium

Storage Temperature

+20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

Purity

>95% (HPLC)