Analyte Name

1-(Methyl-d3)-4-nitro-3-(2,2,3,3,3-D5-propyl)-1H-pyrazole-5-carboxylic Acid

CAS Number

1175993-00-6

Molecular Formula

C8 D8 H3 N3 O4

Molecular Weight

221.24

Accurate Mass

221.125

SMILES

[2H]C([2H])([2H])n1nc(CC([2H])([2H])C([2H])([2H])[2H])c(c1C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C8H11N3O4/c1-3-4-5-6(11(14)15)7(8(12)13)10(2)9-5/h3-4H2,1-2H3,(H,12,13)/i1D3,2D3,3D2

IUPAC

4-nitro-5-(2,2,3,3,3-pentadeuteriopropyl)-2-(trideuteriomethyl)pyrazole-3-carboxylic acid

Unlabelled CAS Number

139756-00-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; API

Product Format

Neat